2-Methylhexanoic acid

Names

[ 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

Biological Activity

[Description]:

2-methylhexanoic acid is a medium-chain fatty acid and is used as flavouring[1].

[Related Catalog]:

Research Areas >> Others

Signaling Pathways >> Others >> Others

[References]

[1]. Api AM, et al. RIFM fragrance ingredient safety assessment, 2-methylhexanoic acid, CAS Registry Number 4536-23-6. Food Chem Toxicol. 2018 Sep;118 Suppl 1:S201-S209.

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

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

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)

Related Compounds

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2-​Methylhexanoic acid