EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

methyl 4-methyl valerate
methyl 4-methylvalerate

Supplier Sponsors

Name:methyl 4-methylpentanoate
CAS Number: 2412-80-8Picture of molecule3D/inchi
Other:2412-24-1
ECHA EINECS - REACH Pre-Reg:219-320-9
FDA UNII:J4R2BY5GJT
Nikkaji Web:J144.104C
MDL:MFCD00191236
CoE Number:322
XlogP3:2.10 (est)
Molecular Weight:130.18698000
Formula:C7 H14 O2
NMR Predictor:Predict (works with chrome or firefox)
EFSA/JECFA Comments:
JECFA CASrn 2412-24-1 not valid.
Category:flavor and fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
JECFA Food Flavoring:216 methyl 4-methylvalerate
FLAVIS Number:09.432 (Old)
DG SANTE Food Flavourings:09.432 methyl 4-methylvalerate
FEMA Number:2721 methyl 4-methylvalerate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: METHYL 4-METHYLVALERATE
FDA Regulation:
FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION
Subpart F--Flavoring Agents and Related Substances
Sec. 172.515 Synthetic flavoring substances and adjuvants.
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 97.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.88800 @ 25.00 °C.
Refractive Index:1.40400 @ 20.00 °C.
Boiling Point: 139.00 to 140.00 °C. @ 760.00 mm Hg
Vapor Pressure:7.853000 mm/Hg @ 25.00 °C. (est)
Flash Point: 103.00 °F. TCC ( 39.44 °C. )
logP (o/w): 2.158 (est)
Soluble in:
 alcohol
 dipropylene glycol
 water, 1070 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor Type: fruity
Odor Strength:medium ,
recommend smelling in a 10.00 % solution or less
fruity sweet banana pineapple cheesy
Odor Description:at 10.00 % in dipropylene glycol. fruity sweet banana pineapple cheese
fruity sweet banana pineapple cheesy
Odor Description:Fruity, sweet, banana, pineapple, with cheese-like nuances
Mosciano, Gerard P&F 17, No. 3, 57, (1992)
Flavor Type: fruity
fruity sweet banana pineapple apple ripe candy
Taste Description: at 50.00 ppm. Fruity, sweet, banana, pineapple, apple-like with ripe candy nuances
Mosciano, Gerard P&F 17, No. 3, 57, (1992)
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
BOC Sciences
For experimental / research use only.
Pentanoic acid,4-methyl-, methyl ester
Penta International
METHYL-4-METHYL VALERATE, Kosher
Sigma-Aldrich
Methyl 4-methylvalerate, ≥97%
Odor: pineapple; sweet
Certified Food Grade Products
Synerzine
Methyl 4-Methylpentanoate
 
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
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
 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
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
 
References:
 methyl 4-methylpentanoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:2412-80-8
Pubchem (cid):17008
Pubchem (sid):134982711
Pherobase:View
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
FDA Everything Added to Food in the United States (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
 
Potential Blenders and core components note
For Odor
animal
methyl (E)-2-octenoate
FL/FR
cheesy
2-
methyl hexanoic acid
FL/FR
2-
methyl-2-hexenoic acid
FR
chemical
propyl propionate
FL/FR
earthy
methyl 3-hexenoate
FL/FR
ethereal
butyl acetate
FL/FR
cyclohexyl formate
FL/FR
iso
propyl acetate
FL/FR
fatty
allyl octanoate
FL/FR
3-
decen-2-one
FL/FR
methyl (E)-2-hexenoate
FL/FR
methyl 2-hexenoate
FL/FR
(E)-2-
octenal
FL/FR
fermented
iso
amyl alcohol
FL/FR
floral
benzyl acetoacetate
FL/FR
gamma-
damascone
FR
alpha-
damascone
FL/FR
linalyl butyrate
FL/FR
methyl citronellate
FL/FR
phenethyl hexanoate
FL/FR
violet methyl carbonate
FR
fruity
allyl 10-undecenoate
FL/FR
allyl 3,5,5-trimethyl hexanoate
FL/FR
allyl benzoate
FR
allyl cinnamate
FL/FR
allyl cyclohexyl acetate
FL/FR
allyl cyclohexyl butyrate
FL/FR
allyl cyclohexyl propionate
FL/FR
allyl heptanoate
FL/FR
allyl hexanoate
FL/FR
allyl isovalerate
FL/FR
allyl propionate
FL/FR
allyl salicylate
FR
(E,E)-
allyl sorbate
FL/FR
allyl sorbate
FL/FR
amyl 2-methyl butyrate
FL/FR
iso
amyl acetate
FL/FR
amyl acetate
FL/FR
amyl butyrate
FL/FR
iso
amyl butyrate
FL/FR
amyl heptanoate
FL/FR
amyl hexanoate
FL/FR
iso
amyl hexanoate
FL/FR
iso
amyl isobutyrate
FL/FR
amyl isobutyrate
FL/FR
amyl isovalerate
FL/FR
iso
amyl isovalerate
FL/FR
amyl propionate
FL/FR
iso
amyl propionate
FL/FR
amyl valerate
FL/FR
iso
amyl valerate
FL/FR
apple ketal
FL/FR
benzyl ethyl ether
FL/FR
benzyl isovalerate
FL/FR
benzyl propionate
FL/FR
iso
butyl 2-butenoate
FL/FR
iso
butyl acetate
FL/FR
butyl butyrate
FL/FR
iso
butyl butyrate
FL/FR
iso
butyl hexanoate
FL/FR
butyl isobutyrate
FL/FR
iso
butyl isobutyrate
FL/FR
iso
butyl isovalerate
FL/FR
butyl isovalerate
FL/FR
butyl propionate
FL/FR
iso
butyl propionate
FL/FR
butyl valerate
FL/FR
cinnamyl isobutyrate
FL/FR
cyclohexyl butyrate
FL/FR
cyclohexyl hexanoate
FL/FR
cyclohexyl isovalerate
FL/FR
cyclohexyl propionate
FL/FR
diethyl malonate
FL/FR
dihydroactinidolide
FL/FR
ethyl (Z)-4-octenoate
FL/FR
ethyl 3-(2-furyl) propanoate
FL/FR
ethyl 3-hexenoate
FL/FR
ethyl 3-methyl valerate
FL/FR
2-
ethyl butyl acetate
FL/FR
ethyl butyrate
FL/FR
ethyl cyclohexane propionate
FL/FR
ethyl heptanoate
FL/FR
ethyl hexanoate
FL/FR
ethyl isovalerate
FL/FR
ethyl valerate
FL/FR
fruity ketal
FL/FR
furfuryl acetate
FL/FR
geranyl 2-methyl butyrate
FL/FR
geranyl isovalerate
FL/FR
4-
heptanone
FL/FR
herbanate (Givaudan)
FR
(E)-2-
hexen-1-ol
FL/FR
(E)-3-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl isobutyrate
FL/FR
hexyl acetate
FL/FR
hexyl formate
FL/FR
hexyl isovalerate
FL/FR
methyl (Z)-4-octenoate
FL/FR
2-
methyl butyl acetate
FL/FR
methyl butyrate
FL/FR
methyl hexanoate
FL/FR
methyl isovalerate
FL/FR
methyl valerate
FL/FR
nonyl isovalerate
FL/FR
2-
pentanone
FL/FR
2-
pentyl butyrate
FL/FR
pineapple hydroxyhexanoate
FL/FR
pineapple pentenoate
FL/FR
prenyl acetate
FL/FR
iso
propyl 2-methyl butyrate
FL/FR
propyl heptanoate
FL/FR
iso
propyl hexanoate
FL/FR
propyl isobutyrate
FL/FR
iso
propyl isobutyrate
FL/FR
propyl isovalerate
FL/FR
iso
propyl isovalerate
FL/FR
iso
propyl octanoate
FL/FR
iso
propyl propionate
FL/FR
green
butyl heptanoate
FL/FR
cognac heptanone
FL/FR
galbanum oxyacetate
FR
(Z)-3-
hepten-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl acetate
FL/FR
(E)-2-
hexen-1-yl butyrate
FL/FR
(E)-2-
hexen-1-yl formate
FL/FR
(E)-2-
hexen-1-yl isovalerate
FL/FR
(E)-2-
hexen-1-yl propionate
FL/FR
(E)-2-
hexen-1-yl valerate
FL/FR
(Z)-3-
hexen-1-yl valerate
FL/FR
(E)-2-
hexenal
FL/FR
(Z)-3-
hexenal diethyl acetal
FL/FR
3-
hexenyl 2-methyl butyrate
FL/FR
3-
hexenyl acetate
FL/FR
hexyl 2-methyl butyrate
FL/FR
hexyl butyrate
FL/FR
hexyl isobutyrate
FL/FR
methyl (E)-3-hexenoate
FL/FR
(Z)-5-
octen-1-yl propionate
FL/FR
(E)-2-
pentenal
FL/FR
herbal
iso
amyl heptanoate
FL/FR
2-
pentyl acetate
FL/FR
sulfurous
ethyl methyl mercaptopropionate
FL/FR
tropical
tropical 3-thiobutyrate
FL/FR
waxy
iso
amyl decanoate
FL/FR
ethyl decanoate
FL/FR
ethyl octanoate
FL/FR
2-
nonanol
FL/FR
woody
marine formate
FR
For Flavor
No flavor group found for these
allyl 10-undecenoate
FL/FR
allyl 3,5,5-trimethyl hexanoate
FL/FR
allyl cinnamate
FL/FR
allyl cyclohexyl butyrate
FL/FR
(E,E)-
allyl sorbate
FL/FR
allyl sorbate
FL/FR
amyl 2-methyl butyrate
FL/FR
iso
amyl 3-methyl thiopropionate
FL
amyl isobutyrate
FL/FR
amyl isovalerate
FL/FR
amyl propionate
FL/FR
amyl valerate
FL/FR
benzyl ethyl ether
FL/FR
sec-
butyl acetate
FL
cyclohexyl butyrate
FL/FR
cyclohexyl hexanoate
FL/FR
diethyl maleate
FL
dihydroactinidolide
FL/FR
ethyl 3-methyl valerate
FL/FR
ethyl cyclohexane propionate
FL/FR
ethyl cyclohexyl carboxylate
FL
geranyl 2-methyl butyrate
FL/FR
(Z)-3-
hepten-1-yl acetate
FL/FR
heptyl 2-methyl butyrate
FL
(Z)-3-
hexenal diethyl acetal
FL/FR
(E)-2-
hexenal dimethyl acetal
FL
(Z)-3-
hexenoic acid
FL
3-
hexenyl acetate
FL/FR
methyl (E)-2-hexenoate
FL/FR
methyl (Z)-4-octenoate
FL/FR
methyl 2-hexenoate
FL/FR
nonyl isovalerate
FL/FR
iso
propyl hexanoate
FL/FR
iso
propyl isobutyrate
FL/FR
propyl isovalerate
FL/FR
iso
propyl isovalerate
FL/FR
sorbyl propionate
FL
benzyl acetoacetate
FL/FR
alliaceous
alliaceous
allyl propionate
FL/FR
citrus
cognac heptanone
FL/FR
creamy
acetoin butyrate
FL
2-
methyl-4-pentenoic acid
FL
dairy
2-
pentyl acetate
FL/FR
estery
furfuryl acetate
FL/FR
ethereal
butyl acetate
FL/FR
iso
propyl acetate
FL/FR
fatty
allyl octanoate
FL/FR
(E)-2-
octenal
FL/FR
floral
linalyl butyrate
FL/FR
methyl citronellate
FL/FR
fruity
allyl cyclohexyl acetate
FL/FR
allyl cyclohexyl propionate
FL/FR
allyl heptanoate
FL/FR
allyl hexanoate
FL/FR
allyl isovalerate
FL/FR
amyl acetate
FL/FR
iso
amyl acetate
FL/FR
amyl butyrate
FL/FR
amyl heptanoate
FL/FR
iso
amyl hexanoate
FL/FR
amyl hexanoate
FL/FR
iso
amyl isobutyrate
FL/FR
iso
amyl propionate
FL/FR
iso
amyl valerate
FL/FR
apple ketal
FL/FR
benzyl isovalerate
FL/FR
benzyl propionate
FL/FR
iso
butyl acetate
FL/FR
iso
butyl butyrate
FL/FR
butyl butyrate
FL/FR
butyl heptanoate
FL/FR
iso
butyl hexanoate
FL/FR
iso
butyl isobutyrate
FL/FR
butyl isobutyrate
FL/FR
butyl isovalerate
FL/FR
iso
butyl propionate
FL/FR
butyl propionate
FL/FR
butyl valerate
FL/FR
cherimoya flavor
FL
cinnamyl isobutyrate
FL/FR
cyclohexyl isovalerate
FL/FR
cyclohexyl propionate
FL/FR
alpha-
damascone
FL/FR
diethyl malonate
FL/FR
ethyl (Z)-4-octenoate
FL/FR
ethyl 3-(2-furyl) propanoate
FL/FR
ethyl 3-hexenoate
FL/FR
2-
ethyl butyl acetate
FL/FR
ethyl butyrate
FL/FR
ethyl heptanoate
FL/FR
ethyl hexanoate
FL/FR
ethyl isovalerate
FL/FR
ethyl valerate
FL/FR
fruity ketal
FL/FR
furfuryl isovalerate
FL
furfuryl propionate
FL
furfuryl valerate
FL
4-
heptanone
FL/FR
(E)-3-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl isobutyrate
FL/FR
hexyl acetate
FL/FR
methyl (E)-2-octenoate
FL/FR
methyl 3-hexenoate
FL/FR
2-
methyl allyl butyrate
FL
2-
methyl butyl acetate
FL/FR
methyl hexanoate
FL/FR
methyl isovalerate
FL/FR
methyl valerate
FL/FR
orange pineapple banana flavor
FL
2-
pentanone
FL/FR
2-
pentyl butyrate
FL/FR
pineapple hydroxyhexanoate
FL/FR
pineapple pentenoate
FL/FR
prenyl acetate
FL/FR
iso
propyl 2-methyl butyrate
FL/FR
propyl isobutyrate
FL/FR
iso
propyl octanoate
FL/FR
iso
propyl propionate
FL/FR
fusel
iso
amyl alcohol
FL/FR
methyl butyrate
FL/FR
green
iso
amyl isovalerate
FL/FR
iso
butyl 2-butenoate
FL/FR
iso
butyl isovalerate
FL/FR
cyclohexyl formate
FL/FR
3-
decen-2-one
FL/FR
geranyl isovalerate
FL/FR
(E)-2-
hexen-1-ol
FL/FR
(Z)-3-
hexen-1-yl acetate
FL/FR
(E)-2-
hexen-1-yl butyrate
FL/FR
(E)-2-
hexen-1-yl isovalerate
FL/FR
(E)-2-
hexen-1-yl propionate
FL/FR
(E)-2-
hexen-1-yl valerate
FL/FR
(Z)-3-
hexen-1-yl valerate
FL/FR
(E)-2-
hexenal
FL/FR
3-
hexenyl 2-methyl butyrate
FL/FR
hexyl 2-methyl butyrate
FL/FR
hexyl butyrate
FL/FR
hexyl formate
FL/FR
hexyl isobutyrate
FL/FR
hexyl isovalerate
FL/FR
methyl (E)-3-hexenoate
FL/FR
(Z)-5-
octen-1-yl propionate
FL/FR
(E)-2-
pentenal
FL/FR
herbal
iso
amyl heptanoate
FL/FR
oily
2-
methyl hexanoic acid
FL/FR
rummy
(E)-2-
hexen-1-yl formate
FL/FR
sour
2,4-
dimethyl-2-pentenoic acid
FL
sulfurous
ethyl methyl mercaptopropionate
FL/FR
methyl 4-(methyl thio) butyrate
FL
tropical 3-thiobutyrate
FL/FR
tropical
propyl propionate
FL/FR
waxy
iso
amyl butyrate
FL/FR
iso
amyl decanoate
FL/FR
ethyl decanoate
FL/FR
ethyl octanoate
FL/FR
2-
nonanol
FL/FR
phenethyl hexanoate
FL/FR
propyl heptanoate
FL/FR
 
Potential Uses:
FLapple
FLbanana
FLpear
FLpineapple
FLtutti frutti
 
Occurrence (nature, food, other):note
 michelia alba flower absolute @ 0.55%
Data GC Search Trop Picture
 nicotiana longiflora
Search Trop Picture
 pineapple fruit
Search Trop Picture
 
Synonyms:
 banana valerate
 methyl 4-methyl pentanoate
 methyl 4-methyl valerate
 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
 
 
Notes:
Present in pineapple. Flavouring ingredient with a sweet, pineapple-like flavour
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