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METHYL 2-NONYNOATE

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 Structure
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℃
refractive index n20/D 1.448(lit.)
FEMA 2726 | METHYL 2-NONYNOATE
Fp 213 °F
storage temp. 2-8°C
form clear liquid
color Colorless to Light yellow
Odorat 1.00 % in dipropylene glycol. floral green violet leaf melon cucumber
Odor Typegreen
JECFA Number1356
BRN 1759870
LogP3.4 at 20℃ and pH7
CAS DataBase Reference111-80-8(CAS DataBase Reference)
EPA Substance Registry System2-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
toxicityThe 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
ProviderLanguage
SigmaAldrich English
ALFA English
METHYL 2-NONYNOATE Usage And Synthesis
DescriptionMethyl 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 PropertiesMethyl 2-nonynoate has a characteristic violet-like odor and a sweet taste reminiscent of fresh peach, unripe banana and cucumber peel.
Chemical PropertiesBoth 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.
OccurrenceHas apparently not been reported to occur in nature
DefinitionChEBI: Methyl non-2-ynoate is a ynoate ester.
PreparationFrom 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/jo00269a017
Tetrahedron Letters, 24, p. 5181, 1983 DOI: 10.1016/S0040-4039(00)88391-4
Contact allergensThis perfumed molecule is related to methyl heptine carbonate. Cross-reactivity is frequent.
METHYL 2-NONYNOATE Preparation Products And Raw materials
Raw materialsTRANS-2-OCTENE-->1-Octyne-->Zinc, chloro-1-octynyl--->Benzene, (2-nonynylthio)--->2-NONYNOIC ACID-->Methanol-->Iodomethane-->Methyl chloroformate
Preparation Products7,9-Hexadecadiyne
Hexyl acetate CITRONELLYL FORMATE Butyl salicylate Hexyl salicylate Allyl (3-methylbutoxy)acetate Ethyl phenylacetate Amyl acetate Benzyl cinnamate AKOS 90720 2-UNDECYNOIC ACID ETHYL ESTER ETHYL 2-NONYNOATE Methyl decanoate METHYL OCTINE CARBONATE SUBST. 2-NONYNE 2-UNDECYNOIC ACID METHYL ESTER METHYL 2-NONYNOATE 2-NONYNOIC ACID CIS-3-HEXEN-1-YL ESTER 2-NONYNOIC ACID
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