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4-methyl valeric acid
4-methylpentanoic acid

Supplier Sponsors

Name:4-methylpentanoic acid
CAS Number: 646-07-1Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:211-464-0
FDA UNII:4G4U8JA28T
Nikkaji Web:J1.720E
Beilstein Number:1741912
MDL:MFCD00002803
CoE Number:10150
XlogP3-AA:1.40 (est)
Molecular Weight:116.16004000
Formula:C6 H12 O2
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome or firefox)
Category:flavoring 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:264 4-methylpentanoic acid
FLAVIS Number:08.057 (Old)
DG SANTE Food Flavourings:08.057 4-methylvaleric acid
FEMA Number:3463 4-methylpentanoic acid
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):646-07-1 ; 4-METHYLPENTANOIC ACID
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: Yes
Specific Gravity:0.91900 to 0.92300 @ 25.00 °C.
Pounds per Gallon - (est).: 7.647 to 7.680
Refractive Index:1.41200 to 1.41700 @ 20.00 °C.
Melting Point: -33.00 °C. @ 760.00 mm Hg
Boiling Point: 199.00 to 201.00 °C. @ 760.00 mm Hg
Boiling Point: 125.00 to 126.00 °C. @ 50.00 mm Hg
Vapor Pressure:0.131000 mmHg @ 25.00 °C. (est)
Flash Point: 207.00 °F. TCC ( 97.22 °C. )
logP (o/w): 1.560 (est)
Soluble in:
 alcohol
 water, 5266 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: cheesy
Odor Strength:medium ,
recommend smelling in a 1.00 % solution or less
Substantivity: > 24 hour(s) at 100.00 %
pungent cheesy
Odor Description:at 1.00 % in propylene glycol. pungent cheese
Odor and/or flavor descriptions from others (if found).
Bedoukian Research
4-METHYL PENTANOIC ACID ≥98.0%, FCC, Kosher
Odor Description:pungent, cheese-like
Taste Description:cheesy
Used primarily in cheese flavors.
 
Cosmetic Information:
None found
 
Suppliers:
Apple Flavor & Fragrance
4-Methyl pentanoic acid
Bedoukian Research
4-METHYL PENTANOIC ACID
≥98.0%, FCC, Kosher
Odor: pungent, cheese-like
Flavor: cheesy
Used primarily in cheese flavors.
Beijing Lys Chemicals
4-Methylvaleric acid
BOC Sciences
For experimental / research use only.
4-METHYL PENTANOIC ACID FCC 98.0%
EMD Millipore
For experimental / research use only.
4-Methyl pentanoic acid
Endeavour Specialty Chemicals
4-Methylpentanoic acid 98% F&F
Speciality Chemical Product Groups
Inoue Perfumery
isoHEXANOIC ACID
Natural Advantage
Goat Acid Nat (4-Methylpentanoic Acid)
Flavor: cheesy, pungent, sour
Riverside Aromatics LTD.is the exclusive distributor for Europe in UK for any non-US based inquiries
PCAS
4-Methyl Valerianic Acid
Penta International
4-METHYL VALERIC ACID NATURAL
Penta International
4-METHYL VALERIC ACID
R C Treatt & Co Ltd
4-Methylpentanoic acid
Riverside Aromatics
4-METHYLPENTANOIC ACID, NATURAL
Robinson Brothers
4-Methylpentanoic acid F&F
https://www.robinsonbrothers.uk/chemistry-competences
Shanghai Vigen Fine Chemical
4-Methyl Pentanoic Acid
Sigma-Aldrich
4-Methylpentanoic acid, ≥98%, FCC, FG
Odor: cheese
Certified Food Grade Products
Synerzine
4-Methylpentanoic Acid
TCI AMERICA
For experimental / research use only.
4-Methylvaleric Acid >97.0%(GC)
Tianjin Danjun International
4-Methyl valeric acid
WholeChem
4-Methylvaleric acid
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
C - Corrosive.
R 21 - Harmful in contact with skin.
R 34 - Causes burns.
R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 20/21 - When using do not eat, drink or smoke.
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 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
S 45 - In case of accident or if you feel unwell seek medical advice immediately.
 
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:
oral-rat LD50 2050 mg/kg
Union Carbide Data Sheet. Vol. 2/4/1959

Dermal Toxicity:
skin-rabbit LD50 1050 uL/kg
Union Carbide Data Sheet. Vol. 2/4/1959

Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavoring agents
Recommendation for 4-methyl valeric acid usage levels up to:
 not for fragrance use.
 
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: 9
 average usual ppmaverage maximum ppm
baked goods: -40.00000
beverages(nonalcoholic): -10.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: -10.00000
condiments / relishes: -40.00000
confectionery froastings: -2.00000
egg products: --
fats / oils: --
fish products: --
frozen dairy: -10.00000
fruit ices: -10.00000
gelatins / puddings: --
granulated sugar: --
gravies: -20.00000
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: -20.00000
milk products: -40.00000
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: -20.00000
snack foods: --
soft candy: --
soups: -20.00000
sugar substitutes: --
sweet sauces: --
 
Safety References:
EPI System: View
Cancer Citations:Search
Toxicology Citations:Search
NLM Developmental and Reproductive Toxicity:Search
EPA Substance Registry Services (TSCA):646-07-1
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :12587
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 3265
WGK Germany:3
4-methylpentanoic acid
Chemidplus:0000646071
RTECS:NR2975000 for cas# 646-07-1
 
References:
 4-methylpentanoic acid
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:646-07-1
Pubchem (cid):12587
Pubchem (sid):134976961
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 Substances Added to Food (formerly EAFUS):View
CHEBI:View
CHEMBL:View
Metabolomics Database:Search
HMDB (The Human Metabolome Database):HMDB00689
FooDB:FDB008206
Export Tariff Code:2915.90.1800
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
RSC Learn Chemistry:View
 
Potential Blenders and core components note
For Odor
acidic
iso
butyric acid
FL/FR
cyclohexyl acetic acid
FL/FR
2-
methyl butyric acid
FL/FR
buttery
acetyl propionyl
FL/FR
butyl butyryl lactate
FL/FR
2,3-
heptane dione
FL/FR
cheesy
butyric acid
FL/FR
heptanoic acid
FL/FR
2-
heptanone
FL/FR
2-
methyl hexanoic acid
FL/FR
S-(
methyl thio) butyrate
FL/FR
2-
methyl valeric acid
FL/FR
2-
methyl-2-hexenoic acid
FR
valeric acid
FL/FR
iso
valeric acid
FL/FR
coumarinic
epsilon-
decalactone
FL/FR
creamy
butyl lactate
FL/FR
earthy
2-
octanone
FL/FR
fatty
hexanoic acid
FL/FR
octanoic acid
FL/FR
fruity
iso
amyl hexanoate
FL/FR
butyl isobutyrate
FL/FR
cyclohexyl carboxylic acid
FL/FR
ethyl 3-hexenoate
FL/FR
filbert hexenone
FL/FR
4-
heptanone
FL/FR
2-
heptyl butyrate
FL/FR
methyl 4-methyl valerate
FL/FR
2-
methyl butyl isovalerate
FL/FR
2-
nonanone
FL/FR
prenyl hexanoate
FL/FR
(E,E)-
sorbyl butyrate
FL/FR
sorbyl butyrate
FL/FR
2-
undecanone
FL/FR
fungal
1-
decen-3-ol
FL/FR
green
3-
heptanone
FL/FR
3-
hepten-2-one
FL/FR
(E)-2-
hexenal
FL/FR
herbal
3-
octanone
FL/FR
nutty
nutty quinoxaline
FL/FR
sulfurous
S-
tropical 2-thiobutyrate
FL/FR
waxy
5(6)-
decenoic acid
FL/FR
9-
decenoic acid
FL/FR
2-
methyl heptanoic acid
FL/FR
nonanoic acid
FL/FR
2-
nonanol
FL/FR
undecanoic acid
FL/FR
For Flavor
No flavor group found for these
ethyl cyclohexyl carboxylate
FL
(E,E)-2,4-
heptadien-1-ol
FL
2,4-
heptadien-1-ol
FL
2-
heptyl butyrate
FL/FR
(Z)-3-
hexenoic acid
FL
methionyl acetate
FL
5-
methyl hexanoic acid
FL
3-
methyl mercaptopropyl amine
FL
S-(
methyl thio) hexanoate
FL
prenyl hexanoate
FL/FR
(E,E)-
sorbyl butyrate
FL/FR
S-
tropical 2-thiobutyrate
FL/FR
acidic
acidic
iso
butyric acid
FL/FR
(E)-2-
hexenoic acid
FL
propionic acid
FL
valeric acid
FL/FR
bitter
glyceryl tributyrate
FL
buttery
2,3-
heptane dione
FL/FR
2-
methyl valeric acid
FL/FR
(E)-2-
pentenoic acid
FL
cabbage
methyl 2-thiofuroate
FL
cheesy
ammonium isovalerate 30% in pg
FL
(E)-2,4-
dimethyl-2-pentenoic acid
FL
2-
heptanone
FL/FR
hexanoic acid
FL/FR
methyl ketones
FL
2-
nonanone
FL/FR
iso
valeric acid
FL/FR
creamy
acetoin butyrate
FL
butyl butyryl lactate
FL/FR
5(6)-
decenoic acid
FL/FR
3-
hepten-2-one
FL/FR
2-
methyl-4-pentenoic acid
FL
dairy
butyl lactate
FL/FR
2-
octanone
FL/FR
4-
pentenoic acid
FL
earthy
1-
decen-3-ol
FL/FR
fatty
dimethyl sulfoxide
FL
nonanoic acid
FL/FR
(E)-2-
octenoic acid
FL
fermented
methyl thio isovalerate
FL
fruity
iso
amyl hexanoate
FL/FR
butyl isobutyrate
FL/FR
cyclohexyl carboxylic acid
FL/FR
ethyl 3-hexenoate
FL/FR
filbert hexenone
FL/FR
furfuryl valerate
FL
4-
heptanone
FL/FR
methionyl butyrate
FL
methyl 4-methyl valerate
FL/FR
2-
methyl butyl isovalerate
FL/FR
2-
methyl butyric acid
FL/FR
sorbyl butyrate
FL/FR
fusel
3-
methyl-2-butanol
FL
green
(E)-2-
hexenal
FL/FR
(E)-3-
hexenoic acid
FL
ketonic
3-
heptanone
FL/FR
meaty
2-
methyl 3-(methyl thio) furan
FL
mushroom
3-
octanone
FL/FR
musty
S-(
methyl thio) butyrate
FL/FR
nutty
nutty quinoxaline
FL/FR
oily
2-
methyl hexanoic acid
FL/FR
onion
methyl propyl trisulfide
FL
soapy
octanoic acid
FL/FR
sour
butyric acid
FL/FR
2,4-
dimethyl-2-pentenoic acid
FL
3-
methyl valeric acid
FL
sulfurous
methyl 4-(methyl thio) butyrate
FL
methyl thioacetate
FL
3-
methyl-2-butane thiol
FL
sweet
cyclohexyl acetic acid
FL/FR
toasted
acetyl propionyl
FL/FR
tropical
S-
methyl 4-methyl pentane thioate
FL
waxy
epsilon-
decalactone
FL/FR
9-
decenoic acid
FL/FR
heptanoic acid
FL/FR
2-
methyl heptanoic acid
FL/FR
2-
nonanol
FL/FR
undecanoic acid
FL/FR
2-
undecanone
FL/FR
 
Potential Uses:
FLcheese
 
Occurrence (nature, food, other):note
 amorphophallus albus
Search Trop Picture
 banana fruit
Search Trop Picture
 cayenne fruit
Search Trop Picture
 fish sauce
Search PMC Picture
 lime oil
Search Trop Picture
 mussels
Search PMC Picture
 orange fruit
Search Trop Picture
 pepper bell pepper fruit
Search Trop Picture
 pineapple fruit
Search Trop Picture
 tea plant
Search Trop Picture
 
Synonyms:
isobutyl acetic acid
isobutylacetic acid
isocaproic acid
4,4-dimethyl butanoic acid
4,4-dimethylbutanoic acid
 goat acid
isohexanoic acid
isohexoic acid
3-methyl butane-1-carboxylic acid
4-methyl pentanoic acid
4-methyl valeric acid natural
4-methyl-N-valeric acid
3-methylbutane-1-carboxylic acid
4-methylpentanoic acid
4-methylvaleric acid
4-methylvalericacid
 pentanoic acid, 4-methyl-
 valeric acid, 4-methyl-
 
 
Notes:
Found in bananas and lime oil Isocaproic acid, a metabolite of 20 alpha-hydroxycholesterol (PMID 14446007) and is an important metabolite in early placentas enabling the convertion from cholesterol to pregnenolone to Dehydroepiandrosterone (DHEA) (PMID 11972299)
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