2-​Methylhexanoic acid

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Names

[ CAS No. ]:
4536-23-6

[ Name ]:
2-​Methylhexanoic acid

[Synonym ]:
CARBOXYLIC ACID C7
rac-2-methylhexanoic acid
R-2-methyl hexanoic acid
2-methyl-hexanoicaci
a-Methylcaproic acid
2-hexanecarboxylicacid
2-Methylcaproic acid
(+/-)-2-methylhexanoic acid
MFCD00002674
EINECS 224-883-9

Chemical & Physical Properties

[ Density]:
0.918 g/mL at 25 °C(lit.)

[ Boiling Point ]:
209-210 °C(lit.)

[ Melting Point ]:
209-210 °C

[ Molecular Formula ]:
C7H14O2

[ Molecular Weight ]:
130.18500

[ Flash Point ]:
222 °F

[ Exact Mass ]:
130.09900

[ PSA ]:
37.30000

[ LogP ]:
1.89730

[ Index of Refraction ]:
n20/D 1.422(lit.)

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MO8400600
CHEMICAL NAME :
Hexanoic acid, 2-methyl-
CAS REGISTRY NUMBER :
4536-23-6
BEILSTEIN REFERENCE NO. :
1721227
LAST UPDATED :
199701
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C7-H14-O2
MOLECULAR WEIGHT :
130.21

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
3 gm/kg
SEX/DURATION :
female 6-15 day(s) after conception
TOXIC EFFECTS :
Reproductive - Maternal Effects - other effects
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: PB91-197418

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

[ RIDADR ]:
UN 3265 8/PG 2

[ WGK Germany ]:
2

[ RTECS ]:
MO8400600

[ Packaging Group ]:
III

[ Hazard Class ]:
8

[ HS Code ]:
29159080

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • N-hexane
  • carbon monoxide
  • 2-methyl hexanal
  • (2R',4R)-3-(2-methylhexanoyl)-4-benzyl-2-oxazolidinone
  • 1-Hexanol
  • 1-hexene
  • 2-Heptanone, 3-methyl-
  • Carbon dioxide
  • Propanedioic acid,2-butyl-2-methyl-, 1,3-diethyl ester

DownStream

  • 2-methylhexanoyl chloride
  • 2-methylhexanamide
  • 2-Hexanone
  • 4-Methylcaprylic acid
  • 3-methylheptanoic acid
  • 12-methylhexadecanoic acid
  • Carbonic acid
  • acetic acid
  • Butyric Acid
  • methyl 2-methylhexanoate

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

Blood cultures evaluation by gas chromatography of volatile fatty acids.

Med. Sci. Monit. 6(3) , 605-10, (2000)

The volatile fatty acid profiles were determined by a simple gas chromatographic method in 375 microbiologically positive and negative blood cultures. Aerobic bacteria yielded profiles with low conten...

Natural organic compounds as alternative to methyl bromide for nematodes control.

J. Environ. Sci. Health B 43(8) , 680-5, (2008)

Thirty-three organic acids and furfural metabolites were examined for their nematicidal activity against plant-parasitic, free-living and predacious nematodes. Propionic acid, 2-methylhexanoic acid, l...

How is chemical interesterification initiated: Nucleophilic substitution or a-proton abstraction?. Liu L.

J. Am. Oil Chem. Soc. 81(4) , 331-7, (2004)


More Articles

Related Compounds

  • 2-​Methylhexanoic acid-d2
  • 2-​Methylhexanoic acid-d3
  • 2-Methylhexanoic acid 1-methylpropyl ester
  • (2R)-2-Methylhexanoic acid
  • (2S)-2-Methylhexanoic acid
  • 3-hydroxy-2-methylhexanoic acid
  • 1-tert-butyl 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl) 1,2,3,4-tetrahydropyridine-1,2-dicarboxylate
  • 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 2-{[(tert-butoxy)carbonyl]amino}-2-(1-methylcyclopropyl)acetate
  • 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 3-phenylbicyclo[2.2.1]hept-5-ene-2-carboxylate
  • 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 3-benzyl-5-methyl-1,2-oxazole-4-carboxylate
  • 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 2-oxo-1-phenylpiperidine-3-carboxylate
  • 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 4,5-dimethyl-2-phenylfuran-3-carboxylate
  • 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 3-(carbamoylmethyl)-1H-indole-2-carboxylate
  • 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 1-(phenylcarbamoyl)piperidine-4-carboxylate
  • 4-(But-3-yn-1-yl)-3-chloropyridine
  • 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 4-[(2-ethoxyphenyl)formamido]butanoate
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