2-Methylpentanoic acid

Modify Date: 2024-01-02 18:06:50

2-Methylpentanoic acid Structure
2-Methylpentanoic acid structure
Common Name 2-Methylpentanoic acid
CAS Number 97-61-0 Molecular Weight 116.158
Density 0.9±0.1 g/cm3 Boiling Point 195.4±8.0 °C at 760 mmHg
Molecular Formula C6H12O2 Melting Point -85°C
MSDS Chinese USA Flash Point 91.1±0.0 °C
Symbol GHS05
GHS05
Signal Word Danger

 Use of 2-Methylpentanoic acid


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].

 Names

Name 2-methylvaleric acid
Synonym More Synonyms

 2-Methylpentanoic acid 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
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

 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
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

 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%

 Articles9

More 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.

 Synonyms

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
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