Cyclohexanecarboxylic acid

Modify Date: 2025-08-20 11:42:09

Cyclohexanecarboxylic acid structure	Common Name	Cyclohexanecarboxylic acid
	CAS Number	98-89-5	Molecular Weight	128.169
	Density	1.1±0.1 g/cm3	Boiling Point	233.0±8.0 °C at 760 mmHg
	Molecular Formula	C₇H₁₂O₂	Melting Point	29-31 °C(lit.)
	MSDS	Chinese USA	Flash Point	107.0±13.1 °C
	Symbol	GHS05, GHS07	Signal Word	Danger

Use of Cyclohexanecarboxylic acid

Cyclohexanecarboxylic acid is a Valproate structural analogue with anticonvulsant action[1].

Name	cyclohexanecarboxylic acid
Synonym	More Synonyms

Description	Cyclohexanecarboxylic acid is a Valproate structural analogue with anticonvulsant action[1].
Related Catalog	Research Areas >> Neurological Disease
Target	Human Endogenous Metabolite
References	[1]. Liu MJ, et al. Pharmacokinetics and pharmacodynamics of valproate analogues in rats. IV. Anticonvulsant action and neurotoxicity of octanoic acid, cyclohexanecarboxylic acid, and 1-methyl-1-cyclohexanecarboxylic acid. Epilepsia. 1994 Jan-Feb;35(1):234-43.

Density	1.1±0.1 g/cm3
Boiling Point	233.0±8.0 °C at 760 mmHg
Melting Point	29-31 °C(lit.)
Molecular Formula	C₇H₁₂O₂
Molecular Weight	128.169
Flash Point	107.0±13.1 °C
Exact Mass	128.083725
PSA	37.30000
LogP	1.77
Vapour Pressure	0.0±1.0 mmHg at 25°C
Index of Refraction	1.481
InChIKey	NZNMSOFKMUBTKW-UHFFFAOYSA-N
SMILES	O=C(O)C1CCCCC1
Water Solubility	0.201 g/100 mL (15 ºC)

Cyclohexanecarboxylic acid MSDS(Chinese)

CHEMICAL IDENTIFICATION

RTECS NUMBER :: GU8370000

CHEMICAL NAME :: Cyclohexanecarboxylic acid

CAS REGISTRY NUMBER :: 98-89-5

BEILSTEIN REFERENCE NO. :: 0970529

LAST UPDATED :: 199709

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C7-H12-O2

MOLECULAR WEIGHT :: 128.19

WISWESSER LINE NOTATION :: L6TJ AVQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 3265 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: DCTODJ Drug and Chemical Toxicology. (Marcel Dekker, 270 Madison Ave., New York, NY 10016) V.1- 1977/78- Volume(issue)/page/year: 3,249,1980

Symbol	GHS05, GHS07
Signal Word	Danger
Hazard Statements	H315-H318-H335
Precautionary Statements	P261-P280-P305 + P351 + P338
Personal Protective Equipment	dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes	Xi:Irritant
Risk Phrases	R36/37/38
Safety Phrases	S26-S36-S37/39
RIDADR	NONH for all modes of transport
WGK Germany	2
RTECS	GU8370000
HS Code	2916209090

Precursor 9
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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%

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Cyclohexanecarboxylic acid

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