4-Methylhexanoic acid

Names

[ Name ]:
4-Methylhexanoic acid

[Synonym ]:
4-METHYLCAPROIC ACID
EINECS 216-336-8
4-methylhexanoicacid
4-Methylhexansure
Hexanoic acid,4-methyl
4-methyl-hexanoicaci
MFCD00870848
4-ETHYLPENTANOIC ACID
Hexanoic acid, 4-methyl-

Chemical & Physical Properties

[ Density]:
0.9±0.1 g/cm3

[ Boiling Point ]:
215.3±8.0 °C at 760 mmHg

[ Molecular Formula ]:
C₇H₁₄O₂

[ Molecular Weight ]:
130.185

[ Flash Point ]:
102.8±6.9 °C

[ Exact Mass ]:
130.099380

[ PSA ]:
37.30000

[ LogP ]:
2.19

[ Vapour Pressure ]:
0.1±0.9 mmHg at 25°C

[ Index of Refraction ]:
1.431

MSDS

Safety Information

[ Symbol ]:

GHS02, GHS05

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H226-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 ]:
10-34

[ Safety Phrases ]:
26-36/37/39-45

[ RIDADR ]:
UN 2920 8/PG 2

[ HS Code ]:
2915900090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

(1-methyl-propylidene)-succinic acid
Citronellal
4-METHYL-1-HEXANOL
(4S)-4-Methyl-1-hexanol
4-methyl-1-(phenylsulfinyl)hexan-2-one
2-Octanone, 3-(hydroxymethyl)-6-methyl
2,6-Dimethyl-2-octene
5-methyl-2-prop-1-en-2-ylheptan-1-ol
2-Chlorobutane
Carbon dioxide

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

Novel glycine conjugates in medium-chain acyl-CoA dehydrogenase deficiency.

J. Inherit. Metab. Dis. 16(2) , 392-8, (1993)

The glycine conjugates of isocaproic, 4-methylhexanoic, 7-hydroxyoctanoic and 8-hydroxyoctanoic acids have been identified in the urine of children with medium-chain acyl-CoA dehydrogenase (MCAD) defi...

Enantioselective analysis of methyl-branched alcohols and acids in rhubarb (Rheum rhabarbarum L.) stalks.

J. Agric. Food Chem. 51(24) , 7086-91, (2003)

The enantiomeric compositions of 2-methylbutanol (1), 4-methylhexanol (2), 2-methylbutanoic acid (3), and 4-methylhexanoic acid (4) present in rhubarb (Rheum rhabarbarum L.) stalks were determined. En...