METHYL 2-NONYNOATE

CAS No.：111-80-8

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METHYL 2-NONYNOATE Basic information

Product Name:	METHYL 2-NONYNOATE
Synonyms:	Methyl octyne carbonate/Methyl 2-nonynoate;METHYL-2-NONYNOATE(SG);1-Octynecarboxylic acid, methyl ester;methyloctynecarbonate;METHYL 2-NONYNOATE;METHYL OCTINE CARBONATE;METHYL NON-2-YNOATE;FEMA 2726
CAS:	111-80-8
MF:	C10H16O2
MW:	168.23
EINECS:	203-909-2
Product Categories:	Acetylenes;Acetylenic Carboxylic Acids & Their Derivatives;Alphabetical Listings;Flavors and Fragrances;M-N
Mol File:	111-80-8.mol

METHYL 2-NONYNOATE Chemical Properties

Boiling point	121 °C20 mm Hg(lit.)
density	0.915 g/mL at 25 °C(lit.)
vapor pressure	5.03-7.45Pa at 20-25℃
FEMA	2726 \| METHYL 2-NONYNOATE
refractive index	n20/D 1.448(lit.)
Fp	213 °F
storage temp.	2-8°C
form	clear liquid
color	Colorless to Light yellow
JECFA Number	1356
BRN	1759870
LogP	3.4 at 20℃ and pH7
CAS DataBase Reference	111-80-8(CAS DataBase Reference)
EPA Substance Registry System	2-Nonynoic acid, methyl ester (111-80-8)

Safety Information

Hazard Codes	Xn
Risk Statements	36/37/38-22-36/38
Safety Statements	26-36/37/39-37/39
WGK Germany	2
RTECS	RB3450000
TSCA	Yes
HS Code	29161900
toxicity	The acute oral LD₅₀ in rats was reported as 2.22 g/kg (1.79-2.65 g/kg) (Moreno, 1973) and the acute dermal LD₅₀ in rabbits as less than 5 g/kg (Moreno, 1973)

MSDS Information

Provider	Language
SigmaAldrich	English
ALFA	English

METHYL 2-NONYNOATE Usage And Synthesis

Description	Methyl 2-nonynoate has a characteristic violet-like odor with a sweet taste reminiscent of fresh peach, unripe banana, and cucumber peel. May be prepared from 2-octene by way of 1-octyne and octyne carboxylic acid.
Chemical Properties	Methyl 2-nonynoate has a characteristic violet-like odor and a sweet taste reminiscent of fresh peach, unripe banana and cucumber peel.
Chemical Properties	Both methyl 2- nonynoate and methyl 2-octynoate have a triple bond and are liquids with a fatty, violet-leaf-like odor.They are used in perfume compositions.
Occurrence	Has apparently not been reported to occur in nature
Preparation	From 2-octene by way of 1-octyne and octyne carboxylic acid.
Synthesis Reference(s)	The Journal of Organic Chemistry, 54, p. 1831, 1989 DOI: 10.1021/jo00269a017Tetrahedron Letters, 24, p. 5181, 1983 DOI: 10.1016/S0040-4039(00)88391-4
Contact allergens	This perfumed molecule is related to methyl heptine carbonate. Cross-reactivity is frequent.

METHYL 2-NONYNOATE Preparation Products And Raw materials

Raw materials	TRANS-2-OCTENE-->1-Octyne-->Zinc, chloro-1-octynyl--->Benzene, (2-nonynylthio)--->2-NONYNOIC ACID-->Methanol-->Iodomethane-->Methyl chloroformate
Preparation Products	7,9-Hexadecadiyne

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