1-Methylcyclohexanecarboxylic acid

Modify Date: 2025-08-25 21:12:20

1-Methylcyclohexanecarboxylic acid structure	Common Name	1-Methylcyclohexanecarboxylic acid
	CAS Number	1123-25-7	Molecular Weight	142.196
	Density	1.0±0.1 g/cm3	Boiling Point	234.0±0.0 °C at 760 mmHg
	Molecular Formula	C₈H₁₄O₂	Melting Point	36-39 °C(lit.)
	MSDS	Chinese USA	Flash Point	100.6±0.0 °C

Name	1-Methyl-1-cyclohexanecarboxylic Acid
Synonym	More Synonyms

Density	1.0±0.1 g/cm3
Boiling Point	234.0±0.0 °C at 760 mmHg
Melting Point	36-39 °C(lit.)
Molecular Formula	C₈H₁₄O₂
Molecular Weight	142.196
Flash Point	100.6±0.0 °C
Exact Mass	142.099380
PSA	37.30000
LogP	2.32
Vapour Pressure	0.0±0.9 mmHg at 25°C
Index of Refraction	1.472
InChIKey	REHQLKUNRPCYEW-UHFFFAOYSA-N
SMILES	CC1(C(=O)O)CCCCC1

1-Methylcyclohexanecarboxylic acid MSDS(Chinese)

CHEMICAL IDENTIFICATION

RTECS NUMBER :: GU8585500

CHEMICAL NAME :: Cyclohexanecarboxylic acid, 1-methyl-

CAS REGISTRY NUMBER :: 1123-25-7

BEILSTEIN REFERENCE NO. :: 1859220

LAST UPDATED :: 199709

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C8-H14-O2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 860 mg/kg

TOXIC EFFECTS :: Behavioral - altered sleep time (including change in righting reflex) Behavioral - somnolence (general depressed activity) Behavioral - ataxia

REFERENCE :: NEPHBW Neuropharmacology. (Pergamon Press Ltd., Headington Hill Hall, Oxford OX3 OBW, UK) V.9- 1970- Volume(issue)/page/year: 24,427,1985

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 840 mg/kg

TOXIC EFFECTS :: Behavioral - altered sleep time (including change in righting reflex) Behavioral - somnolence (general depressed activity) Behavioral - ataxia

REFERENCE :: NEPHBW Neuropharmacology. (Pergamon Press Ltd., Headington Hill Hall, Oxford OX3 OBW, UK) V.9- 1970- Volume(issue)/page/year: 24,427,1985

Personal Protective Equipment	Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
Hazard Codes	Xi: Irritant;
Safety Phrases	S24/25
RIDADR	NONH for all modes of transport
WGK Germany	3
RTECS	GU8585500
HS Code	2916209090

HS Code	2916209090
Summary	2916209090 other cyclanic, cyclenic or cyclotherpenic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their 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:6.5% General tariff:30.0%

Human CYP2C9 and CYP2A6 mediate formation of the hepatotoxin 4-ene-valproic acid.

J. Pharmacol. Exp. Ther. 283(2) , 698-703, (1997)

Cytochrome P450-dependent desaturation of the anticonvulsant drug valproic acid (VPA) results in formation of the hepatotoxin, 4-ene-VPA. Polytherapy with other anticonvulsants which are known P450 in...

Induction of neutrophilic differentiation of human promyelocytic leukemic cells by branched-chain carboxylic acid anticonvulsant drugs.

J. Biol. Response Mod. 3(2) , 132-7, (1984)

The anticonvulsant drug 1-methyl-1-cyclohexanecarboxylic acid ( MCCA ) has been shown to cause maturation of murine neuroblastoma cells in vitro at concentrations that are pharmacologically achievable...

Pharmacokinetics and pharmacodynamics of valproate analogs in rats. II. Pharmacokinetics of octanoic acid, cyclohexanecarboxylic acid, and 1-methyl-1-cyclohexanecarboxylic acid.

Biopharm. Drug Dispos. 14(4) , 325-39, (1993)

The pharmacokinetics of valproic acid (VPA) and three structural analogs, octanoic acid (OA), cyclohexanecarboxylic acid (CCA), and 1-methyl-1-cyclohexanecarboxylic acid (MCCA), were examined in femal...

EINECS 214-371-3

1-Methylcyclohexanecarboxylic acid

Cyclohexanecarboxylic acid, 1-methyl-

1-methylcyclohexane-1-carboxylic acid

MFCD00001463