ChemicalBook--->CAS DataBase List--->97-61-0

97-61-0

97-61-0 Structure

97-61-0 Structure
IdentificationMore
[Name]

2-METHYLVALERIC ACID
[CAS]

97-61-0
[Synonyms]

2-METHYL-N-PENTANOIC ACID
2-METHYL-N-VALERIC ACID
2-METHYLPENTANOIC ACID
2-METHYLVALERIC ACID
FEMA 2754
FEMA NUMBER 2754
METHYLPROPYLACETIC ACID
N-PENTANE-2-CARBOXYLIC ACID
RARECHEM AL BE 0135
2-methylpentanoic
2-methyl-pentanoicaci
2-Methylvaleriansαure
2-methyl-valericaci
2-Pentanecarboxylic acid
2-pentanecarboxylicacid
acidemethylvalerique
alpha-Methylvaleric acid
alpha-methylvalericacid
DL-2-Methylpentanoicacid
Kyselina 2-methylvalerova
[EINECS(EC#)]

202-594-9
[Molecular Formula]

C6H12O2
[MDL Number]

MFCD00002671
[Molecular Weight]

116.16
[MOL File]

97-61-0.mol
Chemical PropertiesBack Directory
[Appearance]

clear colorless liquid
[Melting point ]

-85°C
[Boiling point ]

196-197 °C(lit.)
[density ]

0.931 g/mL at 25 °C(lit.)
[FEMA ]

2754
[refractive index ]

n20/D 1.414(lit.)
[Fp ]

196 °F
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

13g/l
[form ]

clear liquid
[pka]

pK1:4.782 (25°C)
[color ]

Colorless to Almost colorless
[Odor]

at 10.00 % in dipropylene glycol. sour cheese
[biological source]

synthetic
[explosive limit]

1.3-63%(V)
[Odor Type]

cheesy
[Optical Rotation]

Consistent with structure
[Water Solubility ]

Soluble in water(13g/L).
[JECFA Number]

261
[BRN ]

1720655
[Henry's Law Constant]

1.1×101 mol/(m3Pa) at 25℃, Hilal et al. (2008)
[Major Application]

flavors and fragrances
[Cosmetics Ingredients Functions]

PERFUMING
[InChI]

1S/C6H12O2/c1-3-4-5(2)6(7)8/h5H,3-4H2,1-2H3,(H,7,8)
[InChIKey]

OVBFMEVBMNZIBR-UHFFFAOYSA-N
[SMILES]

CCCC(C)C(O)=O
[LogP]

1.66
[Uses]

Plasticizers, vinyl stabilizers, metallic salts,alkyd resins.
[CAS DataBase Reference]

97-61-0(CAS DataBase Reference)
[NIST Chemistry Reference]

Pentanoic acid, 2-methyl-(97-61-0)
[EPA Substance Registry System]

97-61-0(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)
GHS05
[Signal word ]

Danger
[Hazard statements ]

H314
[Precautionary statements ]

P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405
[Hazard Codes ]

C
[Risk Statements ]

R34:Causes burns.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S27:Take off immediately all contaminated clothing .
[RIDADR ]

UN 3265 8/PG 2
[WGK Germany ]

3
[RTECS ]

YV7700000
[TSCA ]

Yes
[REACH Registrations]

Active
[HazardClass ]

8
[PackingGroup ]

III
[HS Code ]

29156000
[Storage Class]

8A - Combustible corrosive hazardous materials
[Hazard Classifications]

Eye Dam. 1
Skin Corr. 1C
Hazard InformationBack Directory
[Description]

2-Methylvaleric acid has a powerful, pungent, acrid odor. Below 10 ppm the flavor is agreeable, sour, and oily. At higher concentrations, the flavor is too acidic. May be prepared by catalytic oxidation of 2-methyl pentanealdehyde; from 2-chloropentane with sodium and C02 under pressure; by decarboxylation of methyl propyl malonic acid; two optically active iosmers are known.
[Chemical Properties]

2-Methylvaleric acid has a powerful, pungent, acrid odor. At concentrations below 10 ppm, it has an agreeable, sour, oily flavor. At higher concentrations the flavor becomes disagreeable because it is too acidic.
[Chemical Properties]

clear colorless liquid
[Occurrence]

Reported found in coffee, wine, cheese, papaya, baked potato, pepper, lamb, rum, tea, mango and cherimoya
[Definition]

ChEBI: 2-methylvaleric acid is a methyl-branched fatty acid that is pentanoic acid which carries a methyl group at position 2. It has a role as a flavouring agent, a plant metabolite and a fragrance. It is a branched-chain saturated fatty acid, a methyl-branched fatty acid, a monocarboxylic acid and a short-chain fatty acid. It is a conjugate acid of a 2-methylvalerate.
[Preparation]

By catalytic oxidation of 2-methyl pentanealdehyde; from 2-chloropentane with sodium and CO2 under pressure; by decarboxylation of methyl propyl malonic acid; two optically active isomers are known
[General Description]

2-Methylpentanoic acid is a volatile fatty acid found in tobacco and milk.
[Flammability and Explosibility]

Flammable
Spectrum DetailBack Directory
[Spectrum Detail]

2-METHYLVALERIC ACID(97-61-0)MS
2-METHYLVALERIC ACID(97-61-0)1HNMR
2-METHYLVALERIC ACID(97-61-0)IR1
2-METHYLVALERIC ACID(97-61-0)IR2
2-METHYLVALERIC ACID(97-61-0)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2-Methylvaleric acid, 98%(97-61-0)
[Alfa Aesar]

2-Methylvaleric acid, 98+%(97-61-0)
[Sigma Aldrich]

97-61-0(sigmaaldrich)
[TCI AMERICA]

2-Methylvaleric Acid,>98.0%(GC)(T)(97-61-0)
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