Methyl trans-2-nonenoate

CAS No.：111-79-5

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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 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
Water Solubility	52.1mg/L at 25℃
JECFA Number	1813
LogP	3.6 at 25℃
CAS DataBase Reference	111-79-5(CAS DataBase Reference)
NIST Chemistry Reference	2-Nonenoic acid, methyl ester(111-79-5)
EPA Substance Registry System	2-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
toxicity	Both the acute oral LD₅₀ value in rats and the acute dermal LD₅₀ value in rabbits exceeded 5 g/kg (Moreno, 1975)

MSDS Information

Provider	Language
SigmaAldrich	English

Methyl trans-2-nonenoate Usage And Synthesis

Description	Methyl 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 properties	Methyl trans-2-nonenoate is colorless to slightly yellow liquid;strong violet-leaf odor. Stable; soluble in alco-hol. Combustible.
Chemical Properties	Methyl 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.
Occurrence	Methyl trans-2-nonenoate has apparently not been reported to occur in nature.
Uses	Perfumes.
Preparation	Obtained in quantitative yields by treating methyl β-chlorocaproate with sodium acetate, or by dehydrogenating the corresponding saturated ester.
Taste threshold values	Taste 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/jo00269a017Synthetic Communications, 24, p. 2069, 1994 DOI: 10.1080/00397919408010217Tetrahedron Letters, 30, p. 6555, 1989 DOI: 10.1016/S0040-4039(01)89020-1
Flammability and Explosibility	Notclassified
Trade name	Neofolione (Givaudan).
Metabolism	2-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 materials

Methanol-->Triethylamine-->Malonic acid-->Heptaldehyde-->METHYL NONANOATE

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