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2-methyl heptanoic acid

Chemical Structure

General Material Information

Preferred name 2-methyl heptanoic acid
Trivial Name 2-Methylheptanoic acid
Short Description 2-methylheptanoic acid
Formula C8 H16 O2
CAS Number 1188-02-9
FEMA Number 2706
Flavis Number 8.047
ECHA Number 214-704-2
FDA UNII 42C9131FOZ
Nikkaji Number J203.450F
MDL MFCD00142944
COE Number 2003
NMR Predictor External link
JECFA Food Flavoring 1212 2-methylheptanoic acid
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 1188-02-9 ; 2-METHYLHEPTANOIC ACID
Synonyms
  • heptanoic acid, 2-methyl-
  • methyl amyl acetic acid
  • 2-methyl enanthic acid
  • methyl heptanoic acid
  • 2 methyl heptanoic acid
  • alpha- methyl heptanoic acid
  • 2-methyl oenanthic acid
  • methylamylacetic acid
  • 2-methylenanthic acid
  • 2-methylheptanoic acid
  • a- methylheptanoic acid
  • 2-methylheptanoicacid
  • 2-methyloenanthic acid
  • 2-Methylheptanoic acid
  • α-Methylheptanoic acid
  • (±)-2-Methylheptanoic acid

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

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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
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB31587
FooDB:FDB008214
Export Tariff Code:2915.90.7000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 144.21391296387
Specific gravity @ 20 °C
Pounds per Gallon 7.556 to 7.573
Refractive Index 1.424 to 1.426 @ 20 °C
Boiling Point 121 to 122°C @ 13 mm Hg
Vapor Pressure 0.018 mmHg @ 25 °C
Flash Point TCC Value 110 °C TCC
logP (o/w) 2.579 est
Solubility
alcohol Yes
water, very slightly Yes
water, 592.1 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Waxy
waxy, green, cheesy, sweaty, buttermilk
General comment At 1.00 % in propylene glycol. waxy green cheese sweaty butter milk
Mosciano, Gerard P&F 15, No. 2, 69, (1990) Waxy, green, cheesy and sweaty
Flavor Type: Waxy
waxy, soapy, oily, fatty
Mosciano, Gerard P&F 15, No. 2, 69, (1990) At 40.00 ppm. Waxy, soapy, oily and fatty

Occurrences

Potential Uses

Applications
Odor purposes Apple, Apricot, Berry, Coconut, Peach, Vanilla
Flavoring purposes Beverage, Butter, Caramel, Cheese, Dairy, Nut, Walnut

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
R 41 - Risk of serious damage to eyes.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in use information

Category:
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
Maximised Survey-derived Daily Intakes (MSDI-EU): 14.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 6.00 (μg/capita/day)
Threshold of Concern:1800 (μg/person/day)
Structure Class: I
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: -10.00000
beverages(nonalcoholic): -1.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -10.00000
fruit ices: -10.00000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -10.00000
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 72 (FGE.72): Consideration of aliphatic, branched-chain saturated and unsaturated alcohols, aldehydes, acids, and related esters evaluated by the JECFA (61st meeting) structurally related to branched- and straight-chain unsaturated carboxylic acids. Esters of these and straight-chain aliphatic saturated alcohols evaluated by EFSA in FGE.05Rev2 (2010)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 72, Revision 1 (FGE.72Rev1): Consideration of aliphatic, branched-chain saturated and unsaturated alcohols, aldehydes, acids, and related esters evaluated by the JECFA (61st meeting) structurally related to branched- and straight-chain unsaturated carboxylic acids, esters of these and straight-chain aliphatic saturated alcohols evaluated by EFSA in FGE.05Rev2
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 72, Revision 2 (FGE.72Rev2): consideration of aliphatic, branched-chain saturated and unsaturated alcohols, aldehydes, acids and related esters evaluated by JECFA (61st, 68th and 69th meetings) and structurally related to flavouring substances in FGE.05Rev3
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):1188-02-9
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :14475
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
2-methylheptanoic acid
Chemidplus:0001188029