2-​Methylhexanoic acid

Modify Date: 2024-01-02 17:17:52

2-​Methylhexanoic acid Structure
2-​Methylhexanoic acid structure
Common Name 2-​Methylhexanoic acid
CAS Number 4536-23-6 Molecular Weight 130.18500
Density 0.918 g/mL at 25 °C(lit.) Boiling Point 209-210 °C(lit.)
Molecular Formula C7H14O2 Melting Point 209-210 °C
MSDS Chinese USA Flash Point 222 °F
Symbol GHS05
GHS05
Signal Word Danger

 Use of 2-​Methylhexanoic acid


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

 Names

Name 2-Methylhexanoic acid
Synonym More Synonyms

 2-​Methylhexanoic acid Biological Activity

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

 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
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

 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%

 Articles3

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Blood cultures evaluation by gas chromatography of volatile fatty acids.

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

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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)

 Synonyms

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