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107-75-5,MFCD00014681
Catalog No.:AA003IO7
107-75-5 | Hydroxycitronellal
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10g
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$15.00   $10.00
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25g
95%
in stock  
$29.00   $20.00
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100g
95%
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$58.00   $40.00
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500g
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  • Technical Information
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  • Technical Information
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Technical Information
Catalog Number:
AA003IO7
Chemical Name:
Hydroxycitronellal
CAS Number:
107-75-5
Molecular Formula:
C10H20O2
Molecular Weight:
172.2646
MDL Number:
MFCD00014681
IUPAC Name:
7-hydroxy-3,7-dimethyloctanal
InChI:
InChI=1S/C10H20O2/c1-9(6-8-11)5-4-7-10(2,3)12/h8-9,12H,4-7H2,1-3H3
InChI Key:
WPFVBOQKRVRMJB-UHFFFAOYSA-N
SMILES:
O=CCC(CCCC(O)(C)C)C
EC Number:
203-518-7
FEMA Number:
2583
Properties
Computed Properties
 
Complexity:
130  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.146g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
172.268g/mol
Monoisotopic Mass:
172.146g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

Synonyms
 
7-hydroxycitronellal 
hydroxycitronellal 
Cyclosia 
Laurine 
Fixol 
Lilyl aldehyde 
Muguet synthetic 
Musuet synthetic 
Muguettine principle 
Musuettine principle 
Octanal, 7-hydroxy-3,7-dimethyl- 
Citronellal, hydroxy- 
Hydroxycitronellal 
hydroxy citronellal 
Oxydihydrocitronellal 
7-Hydroxy-3,7-dimethyloctan-1-al 
NSC 406740 
FEMA No. 2583 
CHEBI:53459 
1-OCTANAL, 3,7-DIMETHYL-7-HYDROXY- 
EINECS 203-518-7 
BRN 1721290 
AI3-05823 
7-Hydroxy-3,7-dimethyloctanal 
7-Hydroxy-3,7-dimethyloctanol 
WPFVBOQKRVRMJB-UHFFFAOYSA-N 
3,7-dimethyl-7-hydroxyoctan-1-al 
Octanol, 7-hydroxy-3,7-dimethyl- 
NCGC00181031-01 
DSSTox_CID_22232 
DSSTox_RID_79966 
DSSTox_GSID_42232 
W-108737 
CAS-107-75-5 
107-75-5 
oxy dihydrocitronellal 
Octanal,7-dimethyl- 
Epitope ID:114090 
EC 203-518-7 
AC1L1PS6 
AC1Q1R1O 
SCHEMBL94185 
4-01-00-04058 (Beilstein Handbook Reference) 
3,7-Dimethyl-7-hydroxyoctana 
GTPL2468 
7-Hydroxycitronellal 
CHEMBL3186027 
DTXSID6042232 
7-hydroxy-3,7-dimethyl-octanal 
CTK0H5083 
FEMA 2583 
KS-00000YTN 
WLN: VH1Y1&3XQ1&1 
1-Octanal,7-dimethyl-7-hydroxy- 
Tox21_112681 
Tox21_301174 
Citronellal hydrate 
5764AF 
MFCD00014681 
NSC163509 
NSC406740 
7-hydroxy-3,7-dimethyl-caprylaldehyde 
AKOS015901699 
Hydroxycitronellal, analytical standard 
3,7-Dimethyl-7-hydroxyoctanal, 97% 
LS-2819 
MCULE-5086680455 
3,7-Dimethyl-7-hydroxyoctanal 
NSC-163509 
NSC-406740 
RTR-001858 
TRA0088906 
Hydroxycitronellal, >=95%, FCC, FG 
7-HYDROXY-3,7-DIMETHYL OCTANAL 
NCGC00181031-02 
NCGC00181031-03 
NCGC00255072-01 
AK306843 
Phixia 
AN-22487 
TR-001858 
FT-0627144 
SR-01000944842 
SR-01000944842-1 
7-Hydroxycitronellal, Odorant used in allergy studies 
I14-14687 
7- hydroxycitronellal 
UNII-8SQ0VA4YUR 
7 - hydroxycitronellal 
Cyclalia 
8SQ0VA4YUR 
D01PZP 
CID7888 
C10H20O2 
C10-H20-O2 
C020755 
Literature

Title: SENS-IS, a 3D reconstituted epidermis based model for quantifying chemical sensitization potency: Reproducibility and predictivity results from an inter-laboratory study.

Journal: Toxicology in vitro : an international journal published in association with BIBRA 20160401

Title: Genes specifically modulated in sensitized skins allow the detection of sensitizers in a reconstructed human skin model. Development of the SENS-IS assay.

Journal: Toxicology in vitro : an international journal published in association with BIBRA 20150601

Title: Poisson parameters of antimicrobial activity: a quantitative structure-activity approach.

Journal: International journal of molecular sciences 20120101

Title: Fragrance allergens in 'specific' cosmetic products.

Journal: Contact dermatitis 20110401

Title: Contact allergy caused by fragrance mix and Myroxylon pereirae (balsam of Peru)--a retrospective study.

Journal: Collegium antropologicum 20110301

Title: Contact-allergic reactions to cosmetics.

Journal: Journal of allergy 20110101

Title: Effect of a microemulsion system on hapten-peptide reactivity studies: examples of hydroxycitronellal and citral, fragrance skin sensitizers, with glutathione.

Journal: Chemical research in toxicology 20100920

Title: A new in vitro method for identifying chemical sensitizers combining peptide binding with ARE/EpRE-mediated gene expression in human skin cells.

Journal: Cutaneous and ocular toxicology 20100901

Title: Polyvalent type IV sensitizations to multiple fragrances and a skin protection cream in a metal worker.

Journal: Journal der Deutschen Dermatologischen Gesellschaft = Journal of the German Society of Dermatology : JDDG 20090601

Title: Atopic dermatitis and allergic reactions to individual fragrance chemicals.

Journal: Allergy 20090201

Title: Use of an ex vivo local lymph node assay to assess contact hypersensitivity potential.

Journal: Journal of immunotoxicology 20080701

Title: A smelling trip into the past: the influence of synthetic materials on the history of perfumery.

Journal: Chemistry & biodiversity 20080601

Title: ThermoTRP channels in nociceptors: taking a lead from capsaicin receptor TRPV1.

Journal: Current neuropharmacology 20080301

Title: Allergic and photoallergic contact dermatitis from ketoprofen: evaluation of cross-reactivities by a combination of photopatch testing and computerized conformational analysis.

Journal: Current pharmaceutical design 20080101

Title: Chemicals with weak skin sensitizing properties can be identified using low-density microarrays on immature dendritic cells.

Journal: Toxicology letters 20071101

Title: Fragrance ingredient labelling in products on sale in the U.K.

Journal: The British journal of dermatology 20070801

Title: High-performance liquid chromatographic method for the simultaneous determination of 24 fragrance allergens to study scented products.

Journal: Journal of pharmaceutical and biomedical analysis 20070727

Title: Sensitization to 26 fragrances to be labelled according to current European regulation. Results of the IVDK and review of the literature.

Journal: Contact dermatitis 20070701

Title: Phenotypic alterations and cytokine production in THP-1 cells in response to allergens.

Journal: Toxicology in vitro : an international journal published in association with BIBRA 20070401

Title: GC-MS quantification of suspected volatile allergens in fragrances. 2. Data treatment strategies and method performances.

Journal: Journal of agricultural and food chemistry 20070110

Title: Evaluation of phototoxic properties of fragrances.

Journal: Acta dermato-venereologica 20070101

Title: Determination of fragrance allergens in cosmetics by size-exclusion chromatography followed by gas chromatography-mass spectrometry.

Journal: Journal of chromatography. A 20061103

Title: CD8+ T cells are effector cells of contact dermatitis to common skin allergens in mice.

Journal: The Journal of investigative dermatology 20060401

Title: [Contact allergy to fragrances].

Journal: Medycyna pracy 20060101

Title: Correlations of patch test reactivity and the repeated open application test (ROAT)/provocative use test (PUT).

Journal: Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association 20041101

Title: Characterization of the mouse cold-menthol receptor TRPM8 and vanilloid receptor type-1 VR1 using a fluorometric imaging plate reader (FLIPR) assay.

Journal: British journal of pharmacology 20040201

Title: Ethanol and diethyl phthalate: vehicle effects in the local lymph node assay.

Journal: International journal of toxicology 20040101

Title: A stronger patch test elicitation reaction to the allergen hydroxycitronellal plus the irritant sodium lauryl sulfate.

Journal: Contact dermatitis 20030901

Title: The fragrance hand immersion study - an experimental model simulating real-life exposure for allergic contact dermatitis on the hands.

Journal: Contact dermatitis 20030601

Title: Deodorants: an experimental provocation study with hydroxycitronellal.

Journal: Contact dermatitis 20030401

Title: Application of the risk assessment paradigm to the induction of allergic contact dermatitis.

Journal: Regulatory toxicology and pharmacology : RTP 20030201

Title: Multicentre study of fragrance allergy in Hungary. Immediate and late type reactions.

Journal: Contact dermatitis 20020601

Title: Sensitization methodology and primary prevention of the research institute for fragrance materials.

Journal: Dermatology (Basel, Switzerland) 20020101

Title: Fragrance chemicals in domestic and occupational products.

Journal: Contact dermatitis 20011001

Title: Characterization of T cell responses to fragrances.

Journal: Toxicology and applied pharmacology 20010501

Title: In vitro primary sensitization of hapten-specific T cells by cultured human epidermal Langerhans cells--a screening predictive assay for contact sensitizers.

Journal: Clinical and experimental allergy : journal of the British Society for Allergy and Clinical Immunology 19960501

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