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methyl 2-methyl valerate

General Material Information

Preferred name methyl 2-methyl valerate
Trivial Name methyl 2-methylpentanoate
Formula C7 H14 O2
CAS Number 2177-77-7
CAS Number 2177-77-7 (R)
CAS Number 151409-53-9
FEMA Number 3707
Flavis Number 9.549
ECHA Number 218-543-9
FDA UNII 25KKE63345
Nikkaji Number J45.093F
MDL MFCD00036653
xLogP3-AA 2.10 (est)
NMR Predictor External link
JECFA Food Flavoring 213 methyl 2-methylpentanoate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 2177-77-7 ; METHYL 2-METHYLPENTANOATE
Synonyms
  • fruity valerate
  • methyl 2-methyl pentanoate
  • methyl 2-methylpentanoate
  • methyl 2-methylvalerate
  • 2-methyl pentanoic acid methyl ester
  • 2-methyl valeric acid methyl ester
  • methyl-2-methylpentanoate
  • methyl-2-methylvalerate
  • 2-methylpentanoic acid methyl ester
  • 2-methylvaleric acid methyl ester
  • pentanoic acid, 2-methyl-, methyl ester
  • valeric acid, 2-methyl-, methyl ester

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
HMDB (The Human Metabolome Database):HMDB36237
FooDB:FDB015095
Export Tariff Code:2915.90.0000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 130.18698120117
Specific gravity @ 25 °C
Pounds per Gallon 7.248 to 7.331
Refractive Index 1.398 to 1.408 @ 20 °C
Vapor Pressure 7.853 mmHg @ 25 °C
Vapor Density 1
Flash Point TCC Value 32.22 °C TCC
logP (o/w) 2.158 est
Solubility
alcohol Yes
water, 1070 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Fruity
fruity, berry, apple, tropical, sweet, pineapple, banana, green, melon
General comment At 10.00 % in dipropylene glycol. fruity berry apple tropical
Mosciano, Gerard P&F 18, No. 3, 53, (1993) Fruity, sweet, berry, pineapple, apple, banana, green melon and tropical
Flavor Type: Fruity
fruity, apple green apple, grape, bubble gum, pineapple
Mosciano, Gerard P&F 18, No. 3, 53, (1993) At 5.00 ppm. Fruity, green apple, grape, bubble gum and pineapple-like
Used in baked goods, meat products and candy. Fruity green

Occurrences

Safety Information

Safety information

European information :
Most important hazard(s):
Xi - Irritant
R 10 - Flammable.
R 38 - Irritating to skin.
S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
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
Recommendation for methyl 2-methyl valerate usage levels up to:
3.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.15 (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: 13
Click here to view publication 13
average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): -0.25000
beverages(alcoholic): -0.25000
breakfast cereal: --
cheese: --
chewing gum: -1.00000
condiments / relishes: --
confectionery froastings: -0.25000
egg products: --
fats / oils: --
fish products: --
frozen dairy: -0.50000
fruit ices: --
gelatins / puddings: -0.25000
granulated sugar: --
gravies: --
hard candy: -0.50000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: --
nut products: -0.25000
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: -0.50000
soft candy: -0.25000
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 1, Revision 1 (FGE.01Rev 1): Branched-chain aliphatic saturated aldehydes, carboxylic acids and related esters of primary alcohols and branched-chain carboxylic acids from chemical groups 1 and 2 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) on a request from the Commission
View page or View pdf

Flavouring Group Evaluation 01 Rev2 (FGE.01 Rev2): Branched-chain aliphatic saturated aldehydes, carboxylic acids and related esters of primary alcohols and branched-chain carboxylic acids from chemical groups 1 and 2
View page or View pdf

Scientific Opinion on the safety and efficacy of straight-chain primary aliphatic alcohols/aldehydes/acids, acetals and esters with esters containing saturated alcohols and acetals containing saturated aldehydes (chemical group 1) when used as flavourings for all animal species
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :519890
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 3272
WGK Germany:3
methyl 2-methylpentanoate
Chemidplus:0002177777
methyl (2R)-2-methylpentanoate
methyl (2S)-2-methylpentanoate