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Methyl trans-2-nonenoate

Methyl trans-2-nonenoate Basic information
Product Name:Methyl trans-2-nonenoate
Synonyms:RARECHEM AL BF 0154;NEOFOLIONE;2-NONENOIC ACID METHYL ESTER;METHYL NONYLENATE;METHYL NONYLENOATE;METHYL 2-NONENOATE (MAX 90% TRANS);2-ethylideneoctanoate;Methyl 2-none
CAS:111-79-5
MF:C10H18O2
MW:170.25
EINECS:203-908-7
Product Categories:
Mol File:111-79-5.mol
Methyl trans-2-nonenoate Structure
Methyl trans-2-nonenoate Chemical Properties
Melting point -89.9°C (estimate)
Boiling point 115 °C21 mm Hg(lit.)
density 0.895 g/mL at 25 °C(lit.)
vapor pressure 13.33hPa at 95.84℃
refractive index n20/D 1.444(lit.)
FEMA 2725 | METHYL 2-NONENOATE
Fp 196 °F
storage temp. Sealed in dry,Room Temperature
Odorat 100.00 %. sweet green waxy violet pear fruity melon vegetable
Odor Typegreen
Water Solubility 52.1mg/L at 25℃
JECFA Number1813
LogP3.6 at 25℃
CAS DataBase Reference111-79-5(CAS DataBase Reference)
NIST Chemistry Reference2-Nonenoic acid, methyl ester(111-79-5)
EPA Substance Registry System2-Nonenoic acid, methyl ester (111-79-5)
Safety Information
Hazard Codes Xi,N
Risk Statements 36/38-51/53
Safety Statements 26-61
RIDADR UN 3082 9/PG 3
WGK Germany 2
RTECS RA9470000
toxicityBoth the acute oral LD50 value in rats and the acute dermal LD50 value in rabbits exceeded 5 g/kg (Moreno, 1975)
MSDS Information
ProviderLanguage
SigmaAldrich English
Methyl trans-2-nonenoate Usage And Synthesis
DescriptionMethyl 2-nonenoate has a characteristic violet-like odor. May be obtained in quantitative yields by treating methyl P-chlorocaproate with sodium acetate, or by dehydrogenating the corresponding saturated ester.
Physical propertiesMethyl trans-2-nonenoate is colorless to slightly yellow liquid;strong violet-leaf odor. Stable; soluble in alco-hol. Combustible.
Chemical PropertiesMethyl 2-Nonenoate is a colorless to pale yellow liquid with a green, floral note. It imparts freshness to floral fragrance compositions and is recommended as a substitute for methyl 2-octynoate.The synthesis consists of a condensation of heptanal withmalonic acid, decarboxylation, and subsequent esterification with methanol.
OccurrenceMethyl trans-2-nonenoate has apparently not been reported to occur in nature.
UsesPerfumes.
DefinitionChEBI: Methyl 2-nonenoate is a fatty acid ester.
PreparationObtained in quantitative yields by treating methyl β-chlorocaproate with sodium acetate, or by dehydrogenating the corresponding saturated ester.
Taste threshold valuesTaste characteristics at 5 ppm: green, waxy, oily, fruity, watermelon rind, pear- and apple-like.
Synthesis Reference(s)The Journal of Organic Chemistry, 54, p. 1831, 1989 DOI: 10.1021/jo00269a017
Synthetic Communications, 24, p. 2069, 1994 DOI: 10.1080/00397919408010217
Tetrahedron Letters, 30, p. 6555, 1989 DOI: 10.1016/S0040-4039(01)89020-1
Flammability and ExplosibilityNotclassified
Trade nameNeofolione (Givaudan).
Metabolism2-Nonenoic acid produced by the hydrolysis of methyl nonylenate will presumably pass through the normal pathways of fatty acid metabolism (Lehninger, 1970)
Methyl trans-2-nonenoate Preparation Products And Raw materials
Raw materialsMethanol-->Triethylamine-->Malonic acid-->Heptaldehyde-->METHYL NONANOATE
chalcomycin GITOXIN Methyl trans-2-nonenoate RARECHEM AQ BC 9125 DIGOXIN UZARIN RUBRATOXIN B CYMARIN OLIGOMYCIN C LANATOSIDE B Digitoxin OLIGOMYCIN B GITOXIGENIN 20(22),5BETA-CARDENOLID-3BETA,14BETA,16BETA-TRIOL 3,16-DIACETATE ETHYL TRANS-2-DECENOATE DIGITOXIGENIN METHYL T2 DECENOATE LANATOSIDE A
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