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methyl 4-methyl valerate

Chemical Structure

General Material Information

Preferred name methyl 4-methyl valerate
Trivial Name 4-Methylpentanoic acid methyl ester
Short Description methyl 4-methylvalerate
Formula C7 H14 O2
CAS Number 2412-80-8
Deleted CAS Number 2412-24-1
FEMA Number 2721
Flavis Number 9.432
ECHA Number 219-320-9
FDA UNII J4R2BY5GJT
Nikkaji Number J144.104C
MDL MFCD00191236
COE Number 322
NMR Predictor External link
JECFA Food Flavoring 216 methyl 4-methylvalerate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 2412-80-8 ; METHYL 4-METHYLVALERATE
Synonyms
  • banana valerate
  • methyl 4-methyl pentanoate
  • methyl 4-methylpentanoate
  • methyl 4-methylvalerate
  • methyl isobutyl acetate
  • methyl isobutylacetate
  • methyl isocaproate
  • methyl isohexanoate
  • methyl methyl valerate
  • 4-methyl pentanoic acid methyl ester
  • 4-methyl valeric acid methyl ester
  • methyl-4-methyl valerate
  • pentanoic acid, 4-methyl-, methyl ester
  • valeric acid, 4-methyl-, methyl ester
  • 4-Methylpentanoic acid methyl ester
  • 4-Methylvaleric methyl ester

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

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Perfumer & Flavorists Start search
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Literature & References

methyl 4-methylpentanoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:2412-80-8
Pubchem (cid):17008
Pubchem (sid):134982711
Pherobase:View
Publications by Info
Volatile Flavor Components in Bogyojosaeng and Suhong Cultivars of Strawberry (Fragaria ananassa Duch.)

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):HMDB36238
FooDB:FDB015096
Export Tariff Code:2915.60.0000
Typical G.C.
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
Boiling Point 139 to 140°C @ 760 mm Hg
Vapor Pressure 7.853 mmHg @ 25 °C
Flash Point TCC Value 39.44 °C TCC
logP (o/w) 2.158 est
Solubility
alcohol Yes
dipropylene glycol Yes
water, 1070 mg/L @ 25 °C (est) Yes

Organoleptic Properties

Odor Type: Fruity
fruity, sweet, banana, pineapple, cheesy
General comment At 10.00 % in dipropylene glycol. fruity sweet banana pineapple cheese
Mosciano, Gerard P&F 17, No. 3, 57, (1992) Fruity, sweet, banana, pineapple, with cheese-like nuances
Flavor Type: Fruity
fruity, sweet, banana, pineapple, apple, ripe, candy
Mosciano, Gerard P&F 17, No. 3, 57, (1992) At 50.00 ppm. Fruity, sweet, banana, pineapple, apple-like with ripe candy nuances

Occurrences

Potential Uses

Applications
Flavoring purposes Apple, Banana, Pear, Pineapple, Tutti frutti
Cosmetic purposes Perfuming agents

Safety Information

Safety information

Preferred SDS: View
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 4-methyl valerate usage levels up to:
0.5000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.024 (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: -33.00000
beverages(nonalcoholic): -11.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -44.00000
fruit ices: -44.00000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -33.00000
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 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

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):2412-80-8
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :17008
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 3272
WGK Germany:3
methyl 4-methylpentanoate
Chemidplus:0002412808