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METHYL NONANOATE

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CAS:1731-84-6
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  • 2020-02-21
  • CAS:1731-84-6
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METHYL NONANOATE Basic information
Product Name:METHYL NONANOATE
Synonyms:Methyl n-nonanoate;PELARGONIC ACID METHYL ESTER;N-NONYLIC ACID METHYL ESTER;NONANOIC ACID METHYL ESTER;RARECHEM AL BF 0167;Methyl nonanoate (Methyl pelargonate);Methyl nonanoate >=98.0%;Methyl Nonanoate [Standard Material for GC]
CAS:1731-84-6
MF:C10H20O2
MW:172.26
EINECS:217-052-7
Product Categories:Analytical Chemistry;Fatty Acid Methyl Esters (GC Standard);Standard Materials for GC
Mol File:1731-84-6.mol
METHYL NONANOATE Structure
METHYL NONANOATE Chemical Properties
Melting point 30°C
Boiling point 213-214 °C (lit.)
density 0.875 g/mL at 25 °C (lit.)
FEMA 2724 | METHYL NONANOATE
refractive index n20/D 1.421(lit.)
Fp 184 °F
storage temp. room temp
solubility Chloroform (Sparingly), Methanol (Slightly)
form Liquid
color Clear colorless
Odorat 100.00 %. sweet fruity pear waxy tropical wine
Odor Typefruity
biological sourcesynthetic
JECFA Number179
BRN 1754521
Major Applicationflavors and fragrances
Cosmetics Ingredients FunctionsPERFUMING
SKIN CONDITIONING
SKIN CONDITIONING - EMOLLIENT
Cosmetic Ingredient Review (CIR)METHYL NONANOATE (1731-84-6)
InChI1S/C10H20O2/c1-3-4-5-6-7-8-9-10(11)12-2/h3-9H2,1-2H3
InChIKeyIJXHLVMUNBOGRR-UHFFFAOYSA-N
SMILESCCCCCCCCC(=O)OC
LogP3.90
CAS DataBase Reference1731-84-6(CAS DataBase Reference)
EPA Substance Registry SystemNonanoic acid, methyl ester (1731-84-6)
Safety Information
RIDADR NA 1993 / PGIII
WGK Germany 3
RTECS RA6906000
TSCA TSCA listed
HS Code 29159000
Storage Class10 - Combustible liquids
MSDS Information
ProviderLanguage
SigmaAldrich English
METHYL NONANOATE Usage And Synthesis
DescriptionMethyl nonanoate has a wine and coconut-like odor. Below 10 ppm, it has a sweet, coconut-like flavor. May be synthesized by heating pelargonic acid with methyl alcohol in the presence of concentrated sulfuric acid and subsequent rectification; or by hydrogenation of 1,5-octadien-carboxylic acid methyl ester using palladium chloride in methanol solution.
Chemical PropertiesMethyl nonanoate has a wine and coconut-like odor. Below 10 ppm, it has a sweet, coconut-like flavor
Chemical PropertiesClear colorless liquid
OccurrenceReported found in orris derivatives, apple, banana, blackberry, baked potato, blue cheeses, beef fat, hop oil, white wine, starfruit, prickly pear, wort, Bourbon vanilla, mountain papaya, spineless monkey orange and rooibus tea (Aspalathus linearis)
UsesPerfumes, flavors, reference standard for gaschromatography, intermediate in organic synthesis,medical research.
UsesMethyl nonanoate (Methyl pelargonate) was used in the synthesis of vanillyl nonanoate, a model compound of capsinoids.
PreparationBy heating pelargonic acid with methyl alcohol in the presence of concentrated sulfuric acid and subsequent rectification; or by hydrogenation of 1,5-octadien-carboxylic acid methyl ester using palladium chloride in methanol solution.
DefinitionChEBI: A fatty acid methyl ester obtained from the formal condensation of methanol and nonanoic acid; a colourless liquid with a fruity odour, used in perfumes and flavours, and for medical research.
Taste threshold valuesTaste characteristics at 1 to 10 ppm: winey, waxy, green, celery and pear with an unripe fruit nuance.
Synthesis Reference(s)The Journal of Organic Chemistry, 54, p. 1213, 1989 DOI: 10.1021/jo00266a046
Tetrahedron Letters, 22, p. 4279, 1981 DOI: 10.1016/S0040-4039(01)82933-6
Tag:METHYL NONANOATE(1731-84-6) Related Product Information
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