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methyl decanoate

Chemical Structure

General Material Information

Preferred name methyl decanoate
Trivial Name Methyl decanoate
Short Description methyl caprate
Formula C11 H22 O2
CAS Number 110-42-9
Flavis Number 9.251
ECHA Number 203-766-6
FDA UNII U9L2W51J0B
Nikkaji Number J1.975E
Beilstein Number 1759170
MDL MFCD00009580
COE Number 2304
Bio Activity Summary External link
NMR Predictor External link
Synonyms
  • capric acid methyl ester
  • decanoic acid methyl ester
  • decanoic acid, methyl ester
  • decanoic acid, monomethyl ester
  • metholene 2095
  • methyl caprate
  • methyl caprate natural
  • methyl caprinate
  • methyl N-caprate
  • methyl N-decanoate
  • methyl-caprate (methyl-decanoate)
  • methyl-N-caprate
  • methylcaprate
  • methyldecanoate
  • uniphat A30
  • Uniphat A 30
  • Pastell M 10
  • Estasol MD 10
  • C 1098
  • NSC 3713
  • CE 1095

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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Literature & References

methyl decanoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:110-42-9
Pubchem (cid):8050
Pubchem (sid):134974350
Flavornet:110-42-9
Pherobase:View
Publications by PubMed
Evaluation of the formation of volatiles and sensory characteristics of persimmon (Diospyros kaki L.f.) fruit wines using different commercial yeast strains of Saccharomyces cerevisiae.
Protective effects of the novel adenosine derivative WS0701 in a mouse model of posttraumatic stress disorder.
Experimental and modeling study of the thermal decomposition of methyl decanoate.
Modeling Study of the Low-Temperature Oxidation of Large Methyl Esters from C11 to C19.
Modeling of the oxidation of methyl esters-Validation for methyl hexanoate, methyl heptanoate, and methyl decanoate in a jet-stirred reactor.
Optimisation of secondary electrospray ionisation (SESI) for the trace determination of gas-phase volatile organic compounds.
Overexpression of the apple alcohol acyltransferase gene alters the profile of volatile blends in transgenic tobacco leaves.
Oil-in-water nanoemulsions for pesticide formulations.
Synthesis of a novel series of 2-methylsulfanyl fatty acids and their toxicity on the human K-562 and U-937 leukemia cell lines.
Biosynthesis of thiopeptide antibiotic A10255 in stirred reactors using a chemically defined medium supplemented with continuous nutrient feeds.
Studies on the efficacy of methyl esters of n-alkyl fatty acids as penetration enhancers.
Local anesthetic action of carboxylic esters: evidence for the significance of molecular volume and for the number of sites involved.

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
CHEMBL:View
Golm Metabolome Database:Search
HMDB (The Human Metabolome Database):HMDB33848
FooDB:FDB012026
YMDB (Yeast Metabolome Database):YMDB01336
Export Tariff Code:2915.90.5050
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Formulations/Preparations:
grades: ...99.8% pure.

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 186.29473876953
Specific gravity @ 20 °C
Pounds per Gallon 7.264 to 7.289
Refractive Index 1.424 to 1.427 @ 20 °C
Melting Point -14 to -11°C @ 0 mm Hg
Vapor Pressure 0.093 mmHg @ 25 °C
Flash Point TCC Value 94.44 °C TCC
logP (o/w) 4.41
Solubility
alcohol Yes
water, 4.41 mg/L @ 20 °C (exp) Yes
water No

Organoleptic Properties

Odor Type: Fermented
oily, winey, fruity, floral
General comment At 100.00 %. oily wine fruity floral
Flavor Type: Fatty
fatty, oily, fruity
General comment Fatty oily fruity

Occurrences

Potential Uses

Applications
Odor purposes Floral, Fruit, Wine
Other purposes Oily

Safety Information

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:
oral-rat LD50 > 2000 mg/kg
(Kästner, 2000b)

intravenous-mouse LDLo 48 mg/kg
Journal of the Reticuloendothelial Society. Vol. 3, Pg. 250, 1966.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in use information

Category:
flavor and fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for methyl decanoate usage levels up to:
1.0000 % in the fragrance concentrate.

Safety references

European Food Safety Authority (EFSA) reference(s):

Flavouring Group Evaluation 2, Revision 1 (FGE.02) : Branched- and straight-chain aliphatic saturated primary alcohols and related esters of primary alcohols and straight-chain carboxylic acids and one straight-chain aldehyde from chemical groups 1 and 2 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)
View page or View pdf

EPI System: View
Chemical Carcinogenesis Research Information System:Search
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):110-42-9
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :8050
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:1
methyl decanoate
Chemidplus:0000110429
RTECS:HD9830000 for cas# 110-42-9