Preferred name | 2-methyl butyric acid |
Trivial Name | 2-Methylbutanoic acid |
Short Description | 2-methylbutyric acid |
Formula | C5 H10 O2 |
CAS Number | 116-53-0 |
Deleted CAS Number | 600-07-7 |
FEMA Number | 2695 |
Flavis Number | 8.046 |
ECHA Number | 204-145-2 |
FDA UNII | PX7ZNN5GXK |
Nikkaji Number | J2.000A |
Beilstein Number | 1720486 |
MDL | MFCD00002669 |
COE Number | 2002 |
Bio Activity Summary | External link |
NMR Predictor | External link |
JECFA Food Flavoring | 255 2-methylbutyric acid |
FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
FDA Mainterm | 116-53-0 ; 2-METHYLBUTYRIC ACID |
Synonyms |
|
Google Scholar | Start search |
Google Books | Start search |
Google Patents | Start search |
Perfumer & Flavorists | Start search |
EU Patents | Start search |
PubMeb | Start search |
NCBI | Start search |
Leffingwell: | Chirality or Article |
2-methylbutanoic acid | |
NIST Chemistry WebBook: | Search Inchi |
Canada Domestic Sub. List: | 116-53-0 |
Pubchem (cid): | 8314 |
Pubchem (sid): | 134975532 |
Flavornet: | 116-53-0 |
Pherobase: | View |
(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 |
CHEBI: | View |
CHEMBL: | View |
KEGG (GenomeNet): | C18319 |
HMDB (The Human Metabolome Database): | HMDB02176 |
FooDB: | FDB008135 |
YMDB (Yeast Metabolome Database): | YMDB01587 |
Export Tariff Code: | 2915.60.5000 |
VCF-Online: | VCF Volatile Compounds in Food |
ChemSpider: | View |
Wikipedia: | View |
Material listed in food chemical codex | No |
Molecular weight | 102.13310241699 |
Specific gravity | @ 25 °C |
Pounds per Gallon | 7.73 to 7.797 |
Refractive Index | 1.401 to 1.408 @ 20 °C |
Boiling Point | 176 to 177°C @ 760 mm Hg |
Vapor Pressure | 0.554 mmHg @ 25 °C |
Vapor Density | 3.5 |
Flash Point TCC Value | 73.89 °C TCC |
logP (o/w) | 1.18 |
Shelf life | 6 months (or longer if stored properly.) |
Storage notes | Refrigerate in tightly sealed containers. |
Solubility | |
alcohol | Yes |
propylene glycol | Yes |
water, 45000 mg/L @ 20 °C (exp) | Yes |
water | No |
Odor Type: Acidic | |
pungent, acidic, cheesy roquefort cheese, cheesy, fruity, dirty, fermented | |
Odor strength | medium , recommend smelling in a 10.00 % solution or less |
Substantivity | 244 hour(s) at 100.00 % |
Luebke, William tgsc, (1989) | At 10.00 % in propylene glycol. pungent acid roquefort cheese |
Mosciano, Gerard P&F 16, No. 2, 49, (1991) | Acidic, fruity, dirty, cheesey with a fermented nuance |
Flavor Type: Fruity | |
fruity, dirty, acidic, dairy, buttery, cheesy | |
Mosciano, Gerard P&F 16, No. 2, 49, (1991) | At 10.00 ppm. Fruity, dirty, acidic with a dairy buttery and cheesey nuance |
Used in cream cheese and chocolate flavors. | Creamy |
Useful in: brown cocoa, brown coffee, dairy, fruity red, fruity yellow, fruity tropical, fruity others. | Acidic taste, becoming fruity at concentrations below 10 ppm |
General comment | Fruity, sour, cheesy in dilution; acidic, sweaty, berry-like |
(data available) |
Applications | |
Odor purposes | Angelica , Berry , Butter , Cranberry , Cream , Fruit , Huckleberry , Pineapple , Raspberry , Strawberry |
Flavoring purposes | Angelica , Brown , Cheese roquefort cheese , Chocolate cocoa , Dairy , Fermented , Savory |
Cosmetic purposes | Perfuming agents |
Preferred SDS: View | |
European information : | |
Most important hazard(s): | |
C - Corrosive. | |
R 21/22 - Harmful in contact with skin and if swallowed. R 34 - Causes burns. S 01/02 - Keep locked up and out of the reach of children. 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 27 - Take off immediately all contaminated clothing. 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 3200 mg/kg ATDAEI 1,171,1992 oral-rat LD50 1870 uL/kg GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS MUSCULOSKELETAL: OTHER CHANGES Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 171, 1992. | |
Dermal Toxicity: | |
skin-rabbit LD50 10 ml/kg ATDAEI 1,171,1992 skin-rabbit LD50 1460 uL/kg BEHAVIORAL: ATAXIA SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION GASTROINTESTINAL: OTHER CHANGES Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 171, 1992. | |
Inhalation Toxicity: | |
Not determined |
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 butyric acid usage levels up to: | |||
0.0200 % in the fragrance concentrate. | |||
Structure Class: | I | ||
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 ppm | average maximum ppm | ||
baked goods: | - | - | |
beverages(nonalcoholic): | - | 0.50000 | |
beverages(alcoholic): | - | - | |
breakfast cereal: | - | - | |
cheese: | - | - | |
chewing gum: | - | - | |
condiments / relishes: | - | - | |
confectionery froastings: | - | - | |
egg products: | - | - | |
fats / oils: | - | - | |
fish products: | - | - | |
frozen dairy: | - | 3.00000 | |
fruit ices: | - | 3.00000 | |
gelatins / puddings: | - | - | |
granulated sugar: | - | - | |
gravies: | - | - | |
hard candy: | - | 5.00000 | |
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: | - | - |
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 47, (FGE.47)[1] - Bicyclic secondary alcohols, ketones and related esters from chemical group 8 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food View page or View pdf |
Flavouring Group Evaluation 20, Revision 1 (FGE.20Rev1): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids and related esters from chemical group 23 View page or View pdf |
Scientific Opinion on Flavouring Group Evaluation 13Rev1: Furfuryl and furan derivatives with and without additional side-chain substituents and heteroatoms from chemical group 14 View page or View pdf |
Scientific Opinion on Flavouring Group Evaluation 20, Revision 2 (FGE.20Rev2): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical groups 23 and 30 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 Flavouring Group Evaluation 20, Revision 3(FGE.20Rev3): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical groups 23 and 30 View page or View pdf |
EPI System: View |
AIDS Citations:Search |
Cancer Citations:Search |
Toxicology Citations:Search |
EPA Substance Registry Services (TSCA):116-53-0 |
EPA ACToR:Toxicology Data |
EPA Substance Registry Services (SRS):Registry |
Laboratory Chemical Safety Summary :8314 |
National Institute of Allergy and Infectious Diseases:Data |
WISER:UN 3265 |
WGK Germany:1 |
2-methylbutanoic acid |
Chemidplus:0000116530 |
RTECS:EK7897000 for cas# 116-53-0 |