4247-02-3,MFCD00020167
Catalog No.:AA003QZP

4247-02-3 | Isobutyl 4-hydroxybenzoate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5g
98%
in stock  
$6.00   $4.00
- +
25g
98%
in stock  
$7.00   $5.00
- +
500g
98%
in stock  
$61.00   $43.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003QZP
Chemical Name:
Isobutyl 4-hydroxybenzoate
CAS Number:
4247-02-3
Molecular Formula:
C11H14O3
Molecular Weight:
194.2271
MDL Number:
MFCD00020167
SMILES:
CC(COC(=O)c1ccc(cc1)O)C
Properties
Properties
 
BP:
302.3°C at 760 mmHg  
Form:
Solid  
MP:
76 °C  
Storage:
Inert atmosphere;Room Temperature;  

Computed Properties
 
Complexity:
181  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.4  

Downstream Synthesis Route
4247-02-3    869-24-9   
4-(2-diethylamino-ethoxy)-benzoicacidisobutylester 

[1]ArchivderPharmazie,1938,vol.276,p.154,162

[1]ArchivderPharmazie,1956,vol.289,p.488,496

[1]ArchivderPharmazie,1938,vol.276,p.154,162

[2]JournaloftheSocietyofChemicalIndustry,1947,vol.66,p.175

[3]JournalofMedicinalChemistry,1989,vol.32,p.1910-1913

123-75-1    50-00-0    4247-02-3   
4-Hydroxy-3,5-bis-pyrrolidin-1-ylmethyl-benzoicacidisobutylester;hydrochloride 

[1]JournalofMedicinalChemistry,1989,vol.32,p.1910-1913

[1]EuropeanJournalofMedicinalChemistry,1994,vol.29,p.287-294

Literature

Title: Metabolites of n-Butylparaben and iso-Butylparaben Exhibit Estrogenic Properties in MCF-7 and T47D Human Breast Cancer Cell Lines.

Journal: Toxicological sciences : an official journal of the Society of Toxicology 20180701

Title: Agonistic effects of diverse xenobiotics on the constitutive androstane receptor as detected in a recombinant yeast-cell assay.

Journal: Toxicology in vitro : an international journal published in association with BIBRA 20180201

Title: Comparative study on transcriptional activity of 17 parabens mediated by estrogen receptor α and β and androgen receptor.

Journal: Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association 20130701

Title: Calbindin-D9k as a sensitive molecular biomarker for evaluating the synergistic impact of estrogenic chemicals on GH3 rat pituitary cells.

Journal: International journal of molecular medicine 20121101

Title: Additional effects of bisphenol A and paraben on the induction of calbindin-D(9K) and progesterone receptor via an estrogen receptor pathway in rat pituitary GH3 cells.

Journal: Journal of physiology and pharmacology : an official journal of the Polish Physiological Society 20121001

Title: Large volume sample stacking with EOF and sweeping in CE for determination of common preservatives in cosmetic products by chemometric experimental design.

Journal: Electrophoresis 20120501

Title: Measurement of paraben concentrations in human breast tissue at serial locations across the breast from axilla to sternum.

Journal: Journal of applied toxicology : JAT 20120301

Title: Biomarker genes for detecting estrogenic activity of endocrine disruptors via estrogen receptors.

Journal: International journal of environmental research and public health 20120301

Title: Synergistic effects of parabens on the induction of calbindin-D(9k) gene expression act via a progesterone receptor-mediated pathway in GH3 cells.

Journal: Human & experimental toxicology 20120201

Title: Synergistic effects of octylphenol and isobutyl paraben on the expression of calbindin-D₉k in GH3 rat pituitary cells.

Journal: International journal of molecular medicine 20120201

Title: Aquatic toxicity and ecological risk assessment of seven parabens: Individual and additive approach.

Journal: The Science of the total environment 20111201

Title: Guest molecular size-dependent inclusion complexation of parabens with cholic acid by cogrinding.

Journal: International journal of pharmaceutics 20111128

Title: Many putative endocrine disruptors inhibit prostaglandin synthesis.

Journal: Environmental health perspectives 20110401

Title: Urinary concentrations of parabens and serum hormone levels, semen quality parameters, and sperm DNA damage.

Journal: Environmental health perspectives 20110201

Title: Potential estrogenic effect(s) of parabens at the prepubertal stage of a postnatal female rat model.

Journal: Reproductive toxicology (Elmsford, N.Y.) 20100601

Title: Urinary concentrations of four parabens in the U.S. population: NHANES 2005-2006.

Journal: Environmental health perspectives 20100501

Title: Validation of an in vitro screening test for predicting the tumor promoting potential of chemicals based on gene expression.

Journal: Toxicology in vitro : an international journal published in association with BIBRA 20100401

Title: Mixture effects of endocrine disrupting compounds in vitro.

Journal: International journal of andrology 20100401

Title: In vitro study of Organization for Economic Co-operation and Development (OECD) endocrine disruptor screening and testing methods- establishment of a recombinant rat androgen receptor (rrAR) binding assay.

Journal: The Journal of toxicological sciences 20100401

Title: Maternal exposure to isobutyl-paraben impairs social recognition in adult female rats.

Journal: Experimental animals 20100101

Title: An evaluation of estrogenic activity of parabens using uterine calbindin-d9k gene in an immature rat model.

Journal: Toxicological sciences : an official journal of the Society of Toxicology 20091101

Title: [Determination of six p-hydroxybenzoates in fruits and jams using solid-phase extraction-high performance liquid chromatography].

Journal: Se pu = Chinese journal of chromatography 20091101

Title: Maternal isobutyl-paraben exposure alters anxiety and passive avoidance test performance in adult male rats.

Journal: Neuroscience research 20091001

Title: Maternal isobutyl-paraben exposure decreases the plasma corticosterone level in dams and sensitivity to estrogen in female offspring rats.

Journal: The Journal of veterinary medical science 20090801

Title: Removal of estrogenic activity of iso-butylparaben and n-butylparaben by laccase in the presence of 1-hydroxybenzotriazole.

Journal: Biodegradation 20090701

Title: Evaluation of estrogenic activity of parabens and their chlorinated derivatives by using the yeast two-hybrid assay and the enzyme-linked immunosorbent assay.

Journal: Environmental toxicology and chemistry 20090101

Title: Parabens in male infertility-is there a mitochondrial connection?

Journal: Reproductive toxicology (Elmsford, N.Y.) 20090101

Title: Underarm antiperspirants/deodorants and breast cancer.

Journal: Breast cancer research : BCR 20090101

Title: Simultaneous determination of 21 preservatives in cosmetics by ultra performance liquid chromatography.

Journal: International journal of cosmetic science 20081001

Title: Construction of simplified models to simulate estrogenic disruptions by esters of 4-hydroxy benzoic acid (parabens).

Journal: Biophysical chemistry 20080901

Title: Final amended report on the safety assessment of Methylparaben, Ethylparaben, Propylparaben, Isopropylparaben, Butylparaben, Isobutylparaben, and Benzylparaben as used in cosmetic products.

Journal: International journal of toxicology 20080101

Title: [Simultaneous determination of 7 kinds of preservatives and saccharin in foods with HPLC, and identification with LC/MS/MS].

Journal: Shokuhin eiseigaku zasshi. Journal of the Food Hygienic Society of Japan 20071201

Title: [Simultaneous determination of nine kinds of preservatives in foods by HPLC].

Journal: Shokuhin eiseigaku zasshi. Journal of the Food Hygienic Society of Japan 20070601

Title: Preliminary ecological risk assessment of butylparaben and benzylparaben -1. Removal efficiency in wastewater treatment, acute/chronic toxicity for aquatic organisms, and effects on medaka gene expression.

Journal: Environmental sciences : an international journal of environmental physiology and toxicology 20070101

Title: Preliminary ecological risk assessment of butylparaben and benzylparaben -2. Fate and partitioning in aquatic environments.

Journal: Environmental sciences : an international journal of environmental physiology and toxicology 20070101

Title: Parabens as urinary biomarkers of exposure in humans.

Journal: Environmental health perspectives 20061201

Title: Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.

Journal: Journal of molecular graphics & modelling 20061101

Title: A review of the endocrine activity of parabens and implications for potential risks to human health.

Journal: Critical reviews in toxicology 20050601

Title: Uterotrophic effects of benzophenone derivatives and a p-hydroxybenzoate used in ultraviolet screens.

Journal: Environmental research 20050501

Title: Oestrogenic activity of benzylparaben.

Journal: Journal of applied toxicology : JAT 20030101

Title: Oestrogenic activity of isobutylparaben in vitro and in vivo.

Journal: Journal of applied toxicology : JAT 20020101

Title: ER-dependent estrogenic activity of parabens assessed by proliferation of human breast cancer MCF-7 cells and expression of ERalpha and PR.

Journal: Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association 20011201

Title: [Competitive binding of some alkyl p-hydroxybenzoates to human estrogen receptor alpha and beta].

Journal: Yakugaku zasshi : Journal of the Pharmaceutical Society of Japan 20001201

Title: Chieri Fujino, et al. Comparative Study of the Effect of 17 Parabens on PXR-, CAR- And PPARα-mediated Transcriptional Activation. Food Chem Toxicol. 2019 Nov;133:110792.

Title: Fei Meng, et al. Isobutylparaben Negatively Affects Porcine Oocyte Maturation Through Increasing Oxidative Stress and Cytoskeletal Abnormalities. Environ Mol Mutagen. 2020 Apr;61(4):433-444.

Quotation Request
Company Name:
*
Contact Person:
*
Email:
*
Quantity Required:
*
Country:
Additional Info:
SDS
Tags:4247-02-3 Molecular Formula|4247-02-3 MDL|4247-02-3 SMILES|4247-02-3 Isobutyl 4-hydroxybenzoate
Catalog No.: AA003QZP
4247-02-3,MFCD00020167
4247-02-3 | Isobutyl 4-hydroxybenzoate
Pack Size: 5g
Purity: 98%
in stock
$6.00 $4.00
Pack Size: 25g
Purity: 98%
in stock
$7.00 $5.00
Pack Size: 500g
Purity: 98%
in stock
$61.00 $43.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA003QZP
Chemical Name: Isobutyl 4-hydroxybenzoate
CAS Number: 4247-02-3
Molecular Formula: C11H14O3
Molecular Weight: 194.2271
MDL Number: MFCD00020167
SMILES: CC(COC(=O)c1ccc(cc1)O)C
Properties
BP: 302.3°C at 760 mmHg  
Form: Solid  
MP: 76 °C  
Storage: Inert atmosphere;Room Temperature;  
Complexity: 181  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 14  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 4  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.4  
Downstream Synthesis Route
4247-02-3    869-24-9   
4-(2-diethylamino-ethoxy)-benzoicacidisobutylester 

[1]ArchivderPharmazie,1938,vol.276,p.154,162

4247-02-3    572-09-8    121970-18-1 

[1]ArchivderPharmazie,1956,vol.289,p.488,496

78-83-1    99-96-7    4247-02-3 

[1]ArchivderPharmazie,1938,vol.276,p.154,162

[2]JournaloftheSocietyofChemicalIndustry,1947,vol.66,p.175

[3]JournalofMedicinalChemistry,1989,vol.32,p.1910-1913

123-75-1    50-00-0    4247-02-3   
4-Hydroxy-3,5-bis-pyrrolidin-1-ylmethyl-benzoicacidisobutylester;hydrochloride 

[1]JournalofMedicinalChemistry,1989,vol.32,p.1910-1913

111-24-0    4247-02-3    147539-06-8 

[1]EuropeanJournalofMedicinalChemistry,1994,vol.29,p.287-294

Literature fold

Title: Metabolites of n-Butylparaben and iso-Butylparaben Exhibit Estrogenic Properties in MCF-7 and T47D Human Breast Cancer Cell Lines.

Journal: Toxicological sciences : an official journal of the Society of Toxicology20180701

Title: Agonistic effects of diverse xenobiotics on the constitutive androstane receptor as detected in a recombinant yeast-cell assay.

Journal: Toxicology in vitro : an international journal published in association with BIBRA20180201

Title: Comparative study on transcriptional activity of 17 parabens mediated by estrogen receptor α and β and androgen receptor.

Journal: Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association20130701

Title: Calbindin-D9k as a sensitive molecular biomarker for evaluating the synergistic impact of estrogenic chemicals on GH3 rat pituitary cells.

Journal: International journal of molecular medicine20121101

Title: Additional effects of bisphenol A and paraben on the induction of calbindin-D(9K) and progesterone receptor via an estrogen receptor pathway in rat pituitary GH3 cells.

Journal: Journal of physiology and pharmacology : an official journal of the Polish Physiological Society20121001

Title: Large volume sample stacking with EOF and sweeping in CE for determination of common preservatives in cosmetic products by chemometric experimental design.

Journal: Electrophoresis20120501

Title: Measurement of paraben concentrations in human breast tissue at serial locations across the breast from axilla to sternum.

Journal: Journal of applied toxicology : JAT20120301

Title: Biomarker genes for detecting estrogenic activity of endocrine disruptors via estrogen receptors.

Journal: International journal of environmental research and public health20120301

Title: Synergistic effects of parabens on the induction of calbindin-D(9k) gene expression act via a progesterone receptor-mediated pathway in GH3 cells.

Journal: Human & experimental toxicology20120201

Title: Synergistic effects of octylphenol and isobutyl paraben on the expression of calbindin-D₉k in GH3 rat pituitary cells.

Journal: International journal of molecular medicine20120201

Title: Aquatic toxicity and ecological risk assessment of seven parabens: Individual and additive approach.

Journal: The Science of the total environment20111201

Title: Guest molecular size-dependent inclusion complexation of parabens with cholic acid by cogrinding.

Journal: International journal of pharmaceutics20111128

Title: Many putative endocrine disruptors inhibit prostaglandin synthesis.

Journal: Environmental health perspectives20110401

Title: Urinary concentrations of parabens and serum hormone levels, semen quality parameters, and sperm DNA damage.

Journal: Environmental health perspectives20110201

Title: Potential estrogenic effect(s) of parabens at the prepubertal stage of a postnatal female rat model.

Journal: Reproductive toxicology (Elmsford, N.Y.)20100601

Title: Urinary concentrations of four parabens in the U.S. population: NHANES 2005-2006.

Journal: Environmental health perspectives20100501

Title: Validation of an in vitro screening test for predicting the tumor promoting potential of chemicals based on gene expression.

Journal: Toxicology in vitro : an international journal published in association with BIBRA20100401

Title: Mixture effects of endocrine disrupting compounds in vitro.

Journal: International journal of andrology20100401

Title: In vitro study of Organization for Economic Co-operation and Development (OECD) endocrine disruptor screening and testing methods- establishment of a recombinant rat androgen receptor (rrAR) binding assay.

Journal: The Journal of toxicological sciences20100401

Title: Maternal exposure to isobutyl-paraben impairs social recognition in adult female rats.

Journal: Experimental animals20100101

Title: An evaluation of estrogenic activity of parabens using uterine calbindin-d9k gene in an immature rat model.

Journal: Toxicological sciences : an official journal of the Society of Toxicology20091101

Title: [Determination of six p-hydroxybenzoates in fruits and jams using solid-phase extraction-high performance liquid chromatography].

Journal: Se pu = Chinese journal of chromatography20091101

Title: Maternal isobutyl-paraben exposure alters anxiety and passive avoidance test performance in adult male rats.

Journal: Neuroscience research20091001

Title: Maternal isobutyl-paraben exposure decreases the plasma corticosterone level in dams and sensitivity to estrogen in female offspring rats.

Journal: The Journal of veterinary medical science20090801

Title: Removal of estrogenic activity of iso-butylparaben and n-butylparaben by laccase in the presence of 1-hydroxybenzotriazole.

Journal: Biodegradation20090701

Title: Evaluation of estrogenic activity of parabens and their chlorinated derivatives by using the yeast two-hybrid assay and the enzyme-linked immunosorbent assay.

Journal: Environmental toxicology and chemistry20090101

Title: Parabens in male infertility-is there a mitochondrial connection?

Journal: Reproductive toxicology (Elmsford, N.Y.)20090101

Title: Underarm antiperspirants/deodorants and breast cancer.

Journal: Breast cancer research : BCR20090101

Title: Simultaneous determination of 21 preservatives in cosmetics by ultra performance liquid chromatography.

Journal: International journal of cosmetic science20081001

Title: Construction of simplified models to simulate estrogenic disruptions by esters of 4-hydroxy benzoic acid (parabens).

Journal: Biophysical chemistry20080901

Title: Final amended report on the safety assessment of Methylparaben, Ethylparaben, Propylparaben, Isopropylparaben, Butylparaben, Isobutylparaben, and Benzylparaben as used in cosmetic products.

Journal: International journal of toxicology20080101

Title: [Simultaneous determination of 7 kinds of preservatives and saccharin in foods with HPLC, and identification with LC/MS/MS].

Journal: Shokuhin eiseigaku zasshi. Journal of the Food Hygienic Society of Japan20071201

Title: [Simultaneous determination of nine kinds of preservatives in foods by HPLC].

Journal: Shokuhin eiseigaku zasshi. Journal of the Food Hygienic Society of Japan20070601

Title: Preliminary ecological risk assessment of butylparaben and benzylparaben -1. Removal efficiency in wastewater treatment, acute/chronic toxicity for aquatic organisms, and effects on medaka gene expression.

Journal: Environmental sciences : an international journal of environmental physiology and toxicology20070101

Title: Preliminary ecological risk assessment of butylparaben and benzylparaben -2. Fate and partitioning in aquatic environments.

Journal: Environmental sciences : an international journal of environmental physiology and toxicology20070101

Title: Parabens as urinary biomarkers of exposure in humans.

Journal: Environmental health perspectives20061201

Title: Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.

Journal: Journal of molecular graphics & modelling20061101

Title: A review of the endocrine activity of parabens and implications for potential risks to human health.

Journal: Critical reviews in toxicology20050601

Title: Uterotrophic effects of benzophenone derivatives and a p-hydroxybenzoate used in ultraviolet screens.

Journal: Environmental research20050501

Title: Oestrogenic activity of benzylparaben.

Journal: Journal of applied toxicology : JAT20030101

Title: Oestrogenic activity of isobutylparaben in vitro and in vivo.

Journal: Journal of applied toxicology : JAT20020101

Title: ER-dependent estrogenic activity of parabens assessed by proliferation of human breast cancer MCF-7 cells and expression of ERalpha and PR.

Journal: Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association20011201

Title: [Competitive binding of some alkyl p-hydroxybenzoates to human estrogen receptor alpha and beta].

Journal: Yakugaku zasshi : Journal of the Pharmaceutical Society of Japan20001201

Title: Chieri Fujino, et al. Comparative Study of the Effect of 17 Parabens on PXR-, CAR- And PPARα-mediated Transcriptional Activation. Food Chem Toxicol. 2019 Nov;133:110792.

Title: Fei Meng, et al. Isobutylparaben Negatively Affects Porcine Oocyte Maturation Through Increasing Oxidative Stress and Cytoskeletal Abnormalities. Environ Mol Mutagen. 2020 Apr;61(4):433-444.

Building Blocks More >
57057-80-4
57057-80-4
L-(-)-O-Tosyllactic acid ethyl ester
AA003R3Q | MFCD06809725
865-34-9
865-34-9
Lithium methoxide
AA003R8S | MFCD00036357
71125-38-7
71125-38-7
4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-2H-1$l^{6},2-benzothiazine-3-carboxamide
AA003RE1 | MFCD00868752
894790-18-2
894790-18-2
Methyl 2-(cbz-amino)-2-(tetrahydrothiopyran-4-ylidene)acetate
AA003RIA | MFCD22574985
173043-61-3
173043-61-3
Methyl 2-iodo-4,5-dimethoxybenzoate
AA003RLF | MFCD09800786
941714-57-4
941714-57-4
3-Bromo-1h-pyrrole-2-carboxylic acid methyl ester
AA003ROV | MFCD23106341
91563-80-3
91563-80-3
METHYL 4-DIETHYLAMINOBENZOATE
AA003RSE | MFCD00189408
89809-65-4
89809-65-4
Methyl 6-cyanopyridine-3-carboxylate
AA003RVP | MFCD09927471
14312-89-1
14312-89-1
Methyl perfluoroheptanoate
AA003RZ4 | MFCD00153212
151767-02-1
151767-02-1
Montelukast sodium hydrate
AA003S38 | MFCD20527317
Submit
© 2017 AA BLOCKS, INC. All rights reserved.