ChemicalBook--->CAS DataBase List--->1188-02-9

1188-02-9

1188-02-9 Structure

1188-02-9 Structure
IdentificationMore
[Name]

2-Methylheptanoic acid
[CAS]

1188-02-9
[Synonyms]

2-METHYLENANTHIC ACID
2-METHYLHEPTANOIC ACID
FEMA 2706
FEMA NUMBER 2706
2-methyl-heptanoicaci
2-METHYLHEPTANOIC ACID 97+%
Heptanoic acid, 2-methyl-
a-Methylheptanoic acid
Methylamylacetic acid
[EINECS(EC#)]

214-704-2
[Molecular Formula]

C8H16O2
[MDL Number]

MFCD00142944
[Molecular Weight]

144.21
[MOL File]

1188-02-9.mol
Chemical PropertiesBack Directory
[Appearance]

clear slightly yellow liquid
[Boiling point ]

140 °C/30 mmHg (lit.)
[density ]

0.906 g/mL at 25 °C(lit.)
[FEMA ]

2706
[refractive index ]

n20/D 1.425(lit.)
[Fp ]

>230 °F
[storage temp. ]

Store below +30°C.
[form ]

clear liquid
[pka]

4.82±0.21(Predicted)
[color ]

Colorless to Almost colorless
[Odor]

at 1.00 % in propylene glycol. waxy green cheese sweaty butter milk
[biological source]

synthetic
[Odor Type]

waxy
[JECFA Number]

1212
[Major Application]

flavors and fragrances
[InChI]

1S/C8H16O2/c1-3-4-5-6-7(2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
[InChIKey]

NKBWMBRPILTCRD-UHFFFAOYSA-N
[SMILES]

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

2.72
[CAS DataBase Reference]

1188-02-9(CAS DataBase Reference)
[EPA Substance Registry System]

1188-02-9(EPA Substance)
Questions And AnswerBack Directory
[Uses]

2-Methylheptanoic Acid is used as a reagent in the synthesis of novel isoniazid derivatives with potent antitubercular activity.
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R37/38:Irritating to respiratory system and skin .
R41:Risk of serious damage to eyes.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S39:Wear eye/face protection .
S24/25:Avoid contact with skin and eyes .
[RIDADR ]

UN 3265 8/PG III
[WGK Germany ]

3
[TSCA ]

Yes
[HS Code ]

2915 90 70
[HazardClass ]

8
[PackingGroup ]

III
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2-Methylheptanoic acid(1188-02-9).msds
Hazard InformationBack Directory
[Description]

2-Methylheptanoic acid has a fatty, sour odor (rancid-like) with a sour, fruity, and nut-like flavor. May be synthesized by decarboxylation of methylamyl malonic acid; two optically active isomers and an optically inactive form can be prepared.
[Chemical Properties]

2-Methylheptanoic acid has a fatty, sour odor (rancid-like); sour, fruity and nut-like flavor.
[Chemical Properties]

clear slightly yellow liquid
[Occurrence]

Reported found in lamb, mutton and tea
[Definition]

ChEBI: 2-Methylheptanoic acid is a medium-chain fatty acid.
[Preparation]

By decarboxylation of methylamyl malonic acid; two optically active isomers and an optically inactive form can be prepared
[Aroma threshold values]

Detection: 29.5 ppm
[Taste threshold values]

Taste characteristics at 40 ppm: waxy, soapy, oily and fatty.
[General Description]

2-Methylheptanoic acid has been identified in honey.
Spectrum DetailBack Directory
[Spectrum Detail]

2-Methylheptanoic acid(1188-02-9)1HNMR
2-Methylheptanoic acid(1188-02-9)FT-IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2-Methylheptanoic acid, 98%(1188-02-9)
[Alfa Aesar]

2-Methylheptanoic acid, 98%(1188-02-9)
[Sigma Aldrich]

1188-02-9(sigmaaldrich)
[TCI AMERICA]

2-Methylheptanoic Acid,>98.0%(GC)(T)(1188-02-9)
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