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methyl nonanoate

Chemical Structure

General Material Information

Preferred name methyl nonanoate
Trivial Name Methyl nonanoate
Short Description methyl pelargonate
Formula C10 H20 O2
CAS Number 1731-84-6
FEMA Number 2724
Flavis Number 9.108
ECHA Number 217-052-7
FDA UNII 7XKD6QOH68
Nikkaji Number J573H
Beilstein Number 1754521
MDL MFCD00009569
COE Number 389
NMR Predictor External link
JECFA Food Flavoring 179 methyl nonanoate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 1731-84-6 ; METHYL NONANOATE
Synonyms
  • methyl ester nonanoic acid
  • methyl N-nonanoate
  • methyl nonylate
  • methyl pelargonate
  • methyl-pelargonate (methyl-nonanoate)
  • nonanoic acid methyl ester
  • nonanoic acid, methyl ester
  • pelargonic acid methyl ester

US / EU / FDA / JECFA / FEMA / Scholar / Patents

Google Scholar Start search
Google Books Start search
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Perfumer & Flavorists Start search
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Other Information

(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
FDA Substances Added to Food (formerly EAFUS):View
CHEBI:View
CHEMBL:View
Golm Metabolome Database:Search
HMDB (The Human Metabolome Database):HMDB31264
FooDB:FDB003305
YMDB (Yeast Metabolome Database):YMDB01745
Export Tariff Code:2915.90.5050
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 172.26780700684
Specific gravity @ 20 °C
Pounds per Gallon 7.289 to 7.306
Refractive Index 1.42 to 1.423 @ 20 °C
Melting Point -35 to -34°C @ 760 mm Hg
Boiling Point 213 to 214°C @ 760 mm Hg
Vapor Pressure 0.193 mmHg @ 25 °C
Flash Point TCC Value 85.56 °C TCC
logP (o/w) 4.32
Solubility
alcohol Yes
dipropylene glycol Yes
water, 12.27 mg/L @ 25 °C (est) Yes
water, 22.9 mg/L @ 25 °C (exp) Yes
water No

Organoleptic Properties

Odor Type: Fruity
sweet, fruity, pear, waxy, tropical, winey
General comment At 100.00 %. sweet fruity pear waxy tropical wine
Mosciano, Gerard P&F 26, No. 2, 40, (2001) At 10.00 %. Sweet, fruity, pear-like, waxy, winey, with a slight tropical nuance
Flavor Type: Winey
winey, waxy, green, celery, pear, fruity
Mosciano, Gerard P&F 26, No. 2, 40, (2001) At 1.00 - 10.00 ppm. Winey, waxy, green celery and pear, with an unripe fruit nuance

Occurrences

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
None - None found.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
Hazards identification
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
Pictogram
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
intravenous-mouse LDLo 48 mg/kg
Journal of the Reticuloendothelial Society. Vol. 3, Pg. 250, 1966.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in use information

Category:
cosmetic, flavor and fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for methyl nonanoate usage levels up to:
3.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.86 (μg/capita/day)
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 3
Click here to view publication 3
average usual ppmaverage maximum ppm
baked goods: -7.10000
beverages(nonalcoholic): -3.90000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -3.60000
fruit ices: -3.60000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -6.20000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: --
sugar substitutes: --
sweet sauces: --

Safety references

European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...

European Food Safety Authority (EFSA) reference(s):

Flavouring Group Evaluation 2, Revision 1 (FGE.02) : Branched- and straight-chain aliphatic saturated primary alcohols and related esters of primary alcohols and straight-chain carboxylic acids and one straight-chain aldehyde from chemical groups 1 and 2 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):1731-84-6
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :15606
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
methyl nonanoate
Chemidplus:0001731846
RTECS:RA6906000 for cas# 1731-84-6