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2-methyl valeric acid

General Material Information

Preferred name 2-methyl valeric acid
Trivial Name 2-methylpentanoic acid
Short Description 2-methylvaleric acid
Formula C6 H12 O2
CAS Number 97-61-0
CAS Number 97-61-0 (R)
CAS Number 97-61-0 (S)
FEMA Number 2754
Flavis Number 8.031
ECHA Number 202-594-9
FDA UNII 26A19CG6J9
Nikkaji Number J36.574B
Beilstein Number 1720655
MDL MFCD00002671
COE Number 31
Bio Activity Summary External link
NMR Predictor External link
JECFA Food Flavoring 261 2-methylvaleric acid
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 97-61-0 ; 2-METHYLVALERIC ACID
Synonyms
  • 2-methyl pentanoic acid
  • methyl propyl acetic acid
  • alpha- methyl valeric acid
  • methyl-2-valeric acid FCC
  • 2-methylpentanoic acid
  • 2-methylpentanoicacid
  • 2-methylvaleric acid
  • a- methylvaleric acid
  • 2-pentane carboxylic acid
  • 2-pentanecarboxylic acid
  • pentanoic acid, 2-methyl-
  • valeric acid, 2-methyl-

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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):HMDB31580
FooDB:FDB008203
Export Tariff Code:2915.90.1800
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex Yes
Molecular weight 116.16004180908
Specific gravity @ 25 °C
Pounds per Gallon 7.647 to 7.672
Refractive Index 1.411 to 1.416 @ 20 °C
Boiling Point 196 to 197°C @ 760 mm Hg
Vapor Pressure 0.18 mmHg @ 25 °C
Flash Point TCC Value 91.11 °C TCC
logP (o/w) 1.8
Solubility
alcohol Yes
water, 15000 mg/L @ 20 °C (exp) Yes

Organoleptic Properties

Odor Type: Cheesy
sour, cheesy
Odor strength medium , recommend smelling in a 10.00 % solution or less
Substantivity > 4 hour(s) at 100.00 %
General comment At 10.00 % in dipropylene glycol. sour cheese
Flavor Type: Buttery
buttery, creamy, cheesy
General comment Buttery creamy slightly cheesy
Can be used for a variety of dairy flavors, especially aged cheese. Can also be used in some fruit flavors, especially strawberry, apple, and tropical flavors. Buttery, creamy, slightly cheesy

Occurrences

Potential Uses

Applications
Odor purposes Coffee
Flavoring purposes Cheese
Cosmetic purposes Perfuming agents

Safety Information

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.
Human Experience:
2 % solution: no irritation or sensitization.
Oral/Parenteral Toxicity:
oral-rat LD50 2040 mg/kg
AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.

Dermal Toxicity:
skin-rabbit LD50 2500 mg/kg
Food and Chemical Toxicology. Vol. 20, Pg. 763, 1982.

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 2-methyl valeric acid usage levels up to:
0.0500 % in the fragrance concentrate.
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: --
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -0.80000
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

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):97-61-0
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :7341
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 3265
WGK Germany:2
2-methylpentanoic acid
Chemidplus:0000097610
RTECS:YV7700000 for cas# 97-61-0
(2R)-2-methylpentanoic acid
(2S)-2-methylpentanoic acid