2-Methylpentanoic acid

Names

[ CAS No. ]:
97-61-0

[ Name ]:
2-Methylpentanoic acid

[Synonym ]:
2-METHYL-N-VALERIC ACID
α-Methylvaleric acid
2-methyl pentanoic acid
2-METHYLPENTANOIC ACID FOR SYNTHESIS
methylvaleric acid
methylpentanoic acid
2-Methylvaleric acid
2-methylpentanoic
2-Methyl-valeric acid
Valeric acid, 2-methyl-
PENTANOIC ACID,2-METHYL-
Pentanoic acid, 2-methyl-
acidemethylvalerique
2-Methylvalerate
2-Methylpentanoic acid
2-Methylvalericacid
QVY3&1
2-METHYL VALERIC ACID
2-methyl-valericacid
EINECS 202-594-9
MFCD00002671

Biological Activity

[Description]:

2-Methylvaleric acid (2-Methylpentanoic acid) is a short-chain fatty acid isolated from Campomanesia adamantium and dairy products. 2-Methylvaleric acid is also found in animal feces. 2-Methylvaleric acid is a flavor compound used for food-flavor ingredient, fragrances[1][2][3].

[Related Catalog]:

Research Areas >> Metabolic Disease

[Target]

Human Endogenous Metabolite

[References]

[1]. CHARLOTTE P. BRENNAND, et al. AROMA PROPERTIES AND THRESHOLDS OF SOME BRANCHED‐CHAIN AND OTHER MINOR VOLATILE FATTY ACIDS OCCURRING IN MILKFAT AND MEAT LIPIDS1. September 1989.

[2]. StoneSá, et al. Phytochemistry and antimicrobial activity of Campomanesia adamantium. Revista Brasileira de Farmacognosia. Volume 28, Issue 3, May–June 2018, Pages 303-311

[3]. Menghan Li, et al. A sensitive method for the quantification of short-chain fatty acids by benzyl chloroformate derivatization combined with GC-MS. Analyst. 2020 Apr 7;145(7):2692-2700.

Chemical & Physical Properties

[ Density]:
0.9±0.1 g/cm3

[ Boiling Point ]:
195.4±8.0 °C at 760 mmHg

[ Melting Point ]:
-85°C

[ Molecular Formula ]:
C₆H₁₂O₂

[ Molecular Weight ]:
116.158

[ Flash Point ]:
91.1±0.0 °C

[ Exact Mass ]:
116.083733

[ PSA ]:
37.30000

[ LogP ]:
1.66

[ Vapour Pressure ]:
0.2±0.8 mmHg at 25°C

[ Index of Refraction ]:
1.425

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: YV7700000

CHEMICAL NAME :: Valeric acid, 2-methyl-

CAS REGISTRY NUMBER :: 97-61-0

BEILSTEIN REFERENCE NO. :: 1720655

LAST UPDATED :: 199806

DATA ITEMS CITED :: 5

MOLECULAR FORMULA :: C6-H12-O2

MOLECULAR WEIGHT :: 116.18

WISWESSER LINE NOTATION :: QVY3&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Open irritation test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: UCDS** Union Carbide Data Sheet. (Union Carbide Corp., 39 Old Ridgebury Rd., Danbury, CT 06817) Volume(issue)/page/year: 2/4/1959

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 20,763,1982 ** ACUTE TOXICITY DATA **

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 2040 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. (Chicago, IL) V.2-10, 1950-54. For publisher information, see AEHLAU. Volume(issue)/page/year: 10,61,1954

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 2500 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 20,763,1982

Safety Information

[ Symbol ]:

GHS05

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H314

[ Precautionary Statements ]:
P280-P305 + P351 + P338-P310

[ Personal Protective Equipment ]:
Faceshields;full-face respirator (US);Gloves;Goggles;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
C:Corrosive;

[ Risk Phrases ]:
R34

[ Safety Phrases ]:
S26-S36/37/39-S45-S27

[ RIDADR ]:
UN 3265 8/PG 2

[ WGK Germany ]:
3

[ RTECS ]:
YV7700000

[ Packaging Group ]:
III

[ Hazard Class ]:
8

[ HS Code ]:
2915900090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Customs

[ HS Code ]: 2915900090

[ Summary ]:
2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:5.5% General tariff:30.0%

Articles

Ruminal degradation of quercetin and its influence on fermentation in ruminants.

J. Dairy Sci. 98 , 5688-98, (2015)

The aim of the present study was to investigate the ruminal degradation of the flavonol quercetin and to determine its potential antimicrobial effects on ruminal fermentation in cows. Ruminal degradat...

Physical Properties, Volatiles Compositions and Sensory Descriptions of the Aromatized Hazelnut Oil-Wax Organogels.

J. Food Sci. 80 , S2035-44, (2015)

The purpose of this study was to determine the physicochemical, thermal and sensorial features of vitamin enriched and aromatized hazelnut oil-beeswax and sunflower wax organogels. Another objective w...

Internal standards for gas chromatographic analysis of metabolic end products from anaerobic bacteria.

Appl. Environ. Microbiol. 33(4) , 1002-3, (1977)

2-Methylpentanoic acid and benzoic acid are suggested for use as routine internal standards for gas chromatographic analysis of microbial end products.