EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

12-hydroxydodecanoic acid
sabinic acid

Supplier Sponsors

Name:12-hydroxydodecanoic acid
CAS Number: 505-95-3Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:208-025-0
FDA UNII: SUH3LR2K9D
Nikkaji Web:J182.260H
Beilstein Number:1238370
MDL:MFCD00002739
XlogP3:3.60 (est)
Molecular Weight:216.32088000
Formula:C12 H24 O3
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:natural substances and extractives
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
Physical Properties:
Appearance:white powder (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Melting Point: 85.00 to 88.00 °C. @ 760.00 mm Hg
Boiling Point: 359.00 to 360.00 °C. @ 760.00 mm Hg (est)
Flash Point: 365.00 °F. TCC ( 185.20 °C. ) (est)
logP (o/w): 2.866 (est)
Soluble in:
 water, 278 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
12-HYDROXYDODECANOIC ACID
Matrix Scientific
For experimental / research use only.
12-Hydroxydodecanoic acid, 95+%
sds
Santa Cruz Biotechnology
For experimental / research use only.
12-Hydroxydodecanoic Acid ≥96%
Sigma-Aldrich: Aldrich
For experimental / research use only.
12-Hydroxydodecanoic Acid 97%
sds
 
Safety Information:
Preferred SDS: View
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
natural substances and extractives
Recommendation for 12-hydroxydodecanoic acid usage levels up to:
 not for fragrance use.
 
Recommendation for 12-hydroxydodecanoic acid flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :79034
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
12-hydroxydodecanoic acid
Chemidplus:0000505953
 
References:
 12-hydroxydodecanoic acid
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):79034
Pubchem (sid):135036098
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
CHEBI:View
CHEMBL:View
KEGG (GenomeNet):C08317
HMDB (The Human Metabolome Database):HMDB02059
FooDB:FDB022822
Export Tariff Code:2918.19.9000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 wine
Search Picture
 
Synonyms:
 dodecanoic acid, 12-hydroxy-
12-hydroxy lauric acid
12-hydroxy-dodecanoic acid
12-hydroxydodecanoicacid
12-hydroxylauric acid
 lauric acid, 12-hydroxy-
 sabinic acid
 

Articles:

PubMed:Production of new-to-nature sophorolipids by cultivating the yeast Candida bombicola on unconventional hydrophobic substrates.
PubMed:Chemical constituents of Antrodia camphorata submerged whole broth.
PubMed:Production of new-to-nature sophorolipids by cultivating the yeast Candida bombicola on unconventional hydrophobic substrates.
PubMed:Chemical constituents of Antrodia camphorata submerged whole broth.
PubMed:Lipase-catalyzed synthesis and properties of poly[(12-hydroxydodecanoate)-co-(12-hydroxystearate)] directed towards novel green and sustainable elastomers.
PubMed:Encapsulation and exfoliation of inorganic lamellar fillers into polycaprolactone by electrospinning.
PubMed:Functional expression and characterization of cytochrome P450 52A21 from Candida albicans.
PubMed:Structure-function relationships in human glutathione-dependent formaldehyde dehydrogenase. Role of Glu-67 and Arg-368 in the catalytic mechanism.
PubMed:A structural study of amphiphilic PAMAM (poly(amido amine)) dendrimers in Langmuir and Langmuir-Blodgett films.
PubMed:Calibration of the channel that determines the omega-hydroxylation regiospecificity of cytochrome P4504A1: catalytic oxidation of 12-HALODOdecanoic acids.
PubMed:Mild, solvent-free omega-hydroxy acid polycondensations catalyzed by candida antarctica lipase B.
PubMed:Detection of an enol intermediate in the hydroperoxide lyase chain cleavage reaction.
PubMed:Structure-function relationships in human Class III alcohol dehydrogenase (formaldehyde dehydrogenase).
PubMed:Human glutathione-dependent formaldehyde dehydrogenase. Structures of apo, binary, and inhibitory ternary complexes.
PubMed:Identification and characterisation of two allelic forms of human alcohol dehydrogenase 2.
PubMed:Kinetic mechanism of human glutathione-dependent formaldehyde dehydrogenase.
PubMed:Crystal structures of mouse class II alcohol dehydrogenase reveal determinants of substrate specificity and catalytic efficiency.
PubMed:Promoter activity and regulation of the CYP4F2 leukotriene B(4) omega-hydroxylase gene by peroxisomal proliferators and retinoic acid in HepG2 cells.
PubMed:Isolation and characterization of novel endogenous digitalis-like factors in the ovary of the giant toad, Bufo marinus.
PubMed:An attempt to transform class characteristics within the alcohol dehydrogenase family.
PubMed:S-Nitrosoglutathione is a substrate for rat alcohol dehydrogenase class III isoenzyme.
PubMed:CYP2M1: cloning, sequencing, and expression of a new cytochrome P450 from rainbow trout liver with fatty acid (omega-6)-hydroxylation activity.
PubMed:A structure-activity study of fatty acid interaction with mitochondrial uncoupling protein.
PubMed:Simultaneous radiometric and fluorimetric detection of lauric acid metabolites using high-performance liquid chromatography following esterification with 4-bromomethyl-6,7-dimethoxycoumarin in human and rat liver microsomes.
PubMed:The omega-hydroxlyation of lauric acid: oxidation of 12-hydroxlauric acid to dodecanedioic acid by a purified recombinant fusion protein containing P450 4A1 and NADPH-P450 reductase.
PubMed:Electrocatalytically driven omega-hydroxylation of fatty acids using cytochrome P450 4A1.
PubMed:Probing the active sites of rat and human cytochrome P450 2E1 with alcohols and carboxylic acids.
PubMed:Role of arginine 115 in fatty acid activation and formaldehyde dehydrogenase activity of human class III alcohol dehydrogenase.
PubMed:Determination of the cytochrome P-450 IV marker, omega-hydroxylauric acid, by high-performance liquid chromatography and fluorimetric detection.
PubMed:A convenient method for the determination of hepatic lauric acid omega-oxidation based on solvent partition.
PubMed:Formation of 20-oxoleukotriene B4 by an alcohol dehydrogenase isolated from human neutrophils.
PubMed:The catalytic site of rat hepatic lauric acid omega-hydroxylase. Protein versus prosthetic heme alkylation in the omega-hydroxylation of acetylenic fatty acids.
 
Notes:
12-hydroxydodecanoic acid is the substrate of the human glutathione-dependent formaldehyde dehydrogenase (EC1.1.1.1) . The enzyme that catalyzes the conversion of alcohols to aldehydes is a zinc-containing dimeric enzyme responsible for the oxidation of long-chain alcohols and omega-hydroxy fatty acids. (OMIM) The human glutathione-dependent formaldehyde dehydrogenase is unique among the structurally studied members of the alcohol dehydrogenase family in that it follows a random bi kinetic mechanism forming a binary complex, and a ternary complex with NAD+. (PMID 12196016) [HMDB]
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