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89-72-5,MFCD00002225
Catalog No.:AA00429T

89-72-5 | 2-Sec-butylphenol

Pack Size
Purity
Availability
Price(USD)
Quantity
  
25g
97%
in stock  
$10.00   $7.00
- +
500g
>97.0%(GC)
in stock  
$59.00   $41.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00429T
Chemical Name:
2-Sec-butylphenol
CAS Number:
89-72-5
Molecular Formula:
C10H14O
Molecular Weight:
150.2176
MDL Number:
MFCD00002225
SMILES:
CCC(c1ccccc1O)C
Properties
Properties
 
BP:
227.5°C at 760 mmHg  
Form:
Liquid  
MP:
12 °C(lit.)  
Refractive Index:
n20/D 1.522(lit.)  
Storage:
Room Temperature;Inert atmosphere;  

Computed Properties
 
Complexity:
111  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.4  

Downstream Synthesis Route

[1]JournaloftheAmericanChemicalSociety,1952,vol.74,p.5859,5864

[1]CurrentPatentAssignee:DALIANUNIVERSITYOFTECHNOLOGY-CN110015961,2019,ALocationinpatent:Paragraph0052-0080

[2]Hawthorne;Cram[JournaloftheAmericanChemicalSociety,1952,vol.74,p.5859,5864]

[1]Strohetal.[AngewandteChemie,1957,vol.69,p.699,700]

[2]James,Roger;Glen,JohnB.[JournalofMedicinalChemistry,1980,vol.23,#12,p.1350-1357]

89-72-5   
formaldehyde-bis-(2-<i>sec</i>-butyl-phenyl)-acetal 

[1]Monroe;Hand[JournaloftheAmericanChemicalSociety,1950,vol.72,p.5345]

[1]ZhurnalObshcheiKhimii,1958,vol.28,p.2932,2035,2037;engl.Ausg.S.2071,2074

[2]ZhurnalObshcheiKhimii,1958,vol.28,p.2932,2035,2037;engl.Ausg.S.2071,2074

Literature

Title: Human sex hormone-binding globulin binding affinities of 125 structurally diverse chemicals and comparison with their binding to androgen receptor, estrogen receptor, and α-fetoprotein.

Journal: Toxicological sciences : an official journal of the Society of Toxicology 20150201

Title: Rat α-Fetoprotein binding affinities of a large set of structurally diverse chemicals elucidated the relationships between structures and binding affinities.

Journal: Chemical research in toxicology 20121119

Title: Electrochemical behavior of o-sec-butylphenol at glassy carbon electrode modified with multiwalled carbon nanotubes and 1-butyl-3-methylimidazolium hexafluorophosphate.

Journal: The Analyst 20120921

Title: Chemical category approach of genotoxicity studies for branched alkylphenols.

Journal: Kokuritsu Iyakuhin Shokuhin Eisei Kenkyujo hokoku = Bulletin of National Institute of Health Sciences 20110101

Title: Isolation and characterization of a novel 2-sec-butylphenol-degrading bacterium Pseudomonas sp. strain MS-1.

Journal: Biodegradation 20100401

Title: Determination of four kinds of carbamate pesticides by capillary zone electrophoresis with amperometric detection at a polyamide-modified carbon paste electrode.

Journal: Talanta 20070227

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

Title: Models for the molybdenum hydroxylases: synthesis, characterization and reactivity of cis-oxosulfido-Mo(VI) complexes.

Journal: Journal of the American Chemical Society 20060111

Title: Impact of induced fit on ligand binding to the androgen receptor: a multidimensional QSAR study to predict endocrine-disrupting effects of environmental chemicals.

Journal: Journal of medicinal chemistry 20050908

Title: Study of 202 natural, synthetic, and environmental chemicals for binding to the androgen receptor.

Journal: Chemical research in toxicology 20031001

Title: Quantitative structure-activity relationships for estrogen receptor binding affinity of phenolic chemicals.

Journal: Water research 20030301

Title: Changing the substrate reactivity of 2-hydroxybiphenyl 3-monooxygenase from Pseudomonas azelaica HBP1 by directed evolution.

Journal: The Journal of biological chemistry 20020215

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SDS
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Tags:89-72-5 Molecular Formula|89-72-5 MDL|89-72-5 SMILES|89-72-5 2-Sec-butylphenol
Catalog No.: AA00429T
89-72-5,MFCD00002225
89-72-5 | 2-Sec-butylphenol
Pack Size： 25g
Purity： 97%
in stock
$10.00 $7.00
Pack Size： 500g
Purity： >97.0%(GC)
in stock
$59.00 $41.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00429T
Chemical Name: 2-Sec-butylphenol
CAS Number: 89-72-5
Molecular Formula: C10H14O
Molecular Weight: 150.2176
MDL Number: MFCD00002225
SMILES: CCC(c1ccccc1O)C
Properties
BP: 227.5°C at 760 mmHg  
Form: Liquid  
MP: 12 °C(lit.)  
Refractive Index: n20/D 1.522(lit.)  
Storage: Room Temperature;Inert atmosphere;  
Complexity: 111  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 11  
Hydrogen Bond Acceptor Count: 1  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 1  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.4  
Downstream Synthesis Route
89-72-5    21286-54-4    36383-18-3 

[1]JournaloftheAmericanChemicalSociety,1952,vol.74,p.5859,5864

89-72-5    88-85-7 

[1]CurrentPatentAssignee:DALIANUNIVERSITYOFTECHNOLOGY-CN110015961,2019,ALocationinpatent:Paragraph0052-0080

[2]Hawthorne;Cram[JournaloftheAmericanChemicalSociety,1952,vol.74,p.5859,5864]

89-72-5    74926-91-3 

[1]Strohetal.[AngewandteChemie,1957,vol.69,p.699,700]

[2]James,Roger;Glen,JohnB.[JournalofMedicinalChemistry,1980,vol.23,#12,p.1350-1357]

89-72-5   
formaldehyde-bis-(2-<i>sec</i>-butyl-phenyl)-acetal 

[1]Monroe;Hand[JournaloftheAmericanChemicalSociety,1950,vol.72,p.5345]

89-72-5    79-11-8    76343-98-1 

[1]ZhurnalObshcheiKhimii,1958,vol.28,p.2932,2035,2037;engl.Ausg.S.2071,2074

[2]ZhurnalObshcheiKhimii,1958,vol.28,p.2932,2035,2037;engl.Ausg.S.2071,2074

Literature fold

Title: Human sex hormone-binding globulin binding affinities of 125 structurally diverse chemicals and comparison with their binding to androgen receptor, estrogen receptor, and α-fetoprotein.

Journal: Toxicological sciences : an official journal of the Society of Toxicology20150201

Title: Rat α-Fetoprotein binding affinities of a large set of structurally diverse chemicals elucidated the relationships between structures and binding affinities.

Journal: Chemical research in toxicology20121119

Title: Electrochemical behavior of o-sec-butylphenol at glassy carbon electrode modified with multiwalled carbon nanotubes and 1-butyl-3-methylimidazolium hexafluorophosphate.

Journal: The Analyst20120921

Title: Chemical category approach of genotoxicity studies for branched alkylphenols.

Journal: Kokuritsu Iyakuhin Shokuhin Eisei Kenkyujo hokoku = Bulletin of National Institute of Health Sciences20110101

Title: Isolation and characterization of a novel 2-sec-butylphenol-degrading bacterium Pseudomonas sp. strain MS-1.

Journal: Biodegradation20100401

Title: Determination of four kinds of carbamate pesticides by capillary zone electrophoresis with amperometric detection at a polyamide-modified carbon paste electrode.

Journal: Talanta20070227

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology20060501

Title: Models for the molybdenum hydroxylases: synthesis, characterization and reactivity of cis-oxosulfido-Mo(VI) complexes.

Journal: Journal of the American Chemical Society20060111

Title: Impact of induced fit on ligand binding to the androgen receptor: a multidimensional QSAR study to predict endocrine-disrupting effects of environmental chemicals.

Journal: Journal of medicinal chemistry20050908

Title: Study of 202 natural, synthetic, and environmental chemicals for binding to the androgen receptor.

Journal: Chemical research in toxicology20031001

Title: Quantitative structure-activity relationships for estrogen receptor binding affinity of phenolic chemicals.

Journal: Water research20030301

Title: Changing the substrate reactivity of 2-hydroxybiphenyl 3-monooxygenase from Pseudomonas azelaica HBP1 by directed evolution.

Journal: The Journal of biological chemistry20020215

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