Cyclohexanecarboxylic acid

Modify Date: 2024-01-02 12:21:06

Cyclohexanecarboxylic acid Structure
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
GHS05, GHS07
Signal Word Danger

 Use of Cyclohexanecarboxylic acid


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

 Names

Name cyclohexanecarboxylic acid
Synonym More Synonyms

 Cyclohexanecarboxylic acid Biological Activity

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

 Chemical & Physical Properties

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
Water Solubility 0.201 g/100 mL (15 ºC)

 Toxicological Information

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

 Safety Information

Symbol GHS05 GHS07
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

 Synthetic Route

 Customs

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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 Synonyms

Benzoic acid,hexahydro
Cyclohexanoic acid
EINECS 202-711-3
Cyclohexylformic acid
Cyclohexylcarboxylic acid
Cyclohexylmethanoic acid
CYCLOHEXANECARBOXYLIC ACID FOR SYNTHESIS
Cyelohexanecarboxylic acid
Cyclohexane-Carboxylic Acid
Cyclohexancarbonsaeure
Cyclohexane carboxylic acid
Carboxycyclohexane
Cyclohexanecarboxylic acid
Cyclohexanecarboxylicacid
Hexahydrobenzoic acid
CYCLOHEXANE-CARBOXYLICACID
4-09-00-00016 (Beilstein Handbook Reference)
BENZOIC ACID
Cyclohexanecarboxylic Acid (500 mg)
MFCD00001461
L6TJ AVQ
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