Cyclohexanecarboxylic acid

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Names

[ CAS No. ]:
98-89-5

[ Name ]:
Cyclohexanecarboxylic acid

[Synonym ]:
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

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)

MSDS

Click to get detail MSDS

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

[ 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

Click to get detail synthetic route

Precursor & DownStream

Precursor

3-Cyclohexenecarboxylic acid
Cyclohexanecarboxaldehyde
cyclohexane
carbon monoxide
Cyclohexane, iodo-
benzoic acid
prop-2-enyl cyclohexanecarboxylate
phenylene-ethylene
Cyclohexanemethylamine

DownStream

(2-sulfanylidenepyridin-1-yl) cyclohexanecarboxylate
(R)-2-HYDROXY-2-CYCLOHEXYLACETONITRILE
Cyclohexylmethanol
METHYL 1-BROMOCYCLOHEXANECARBOXYLATE
5-cyclohexyl-1,3,4-thiadiazol-2-amine
fluorocyclohexane
2-Bromo-1-cyclohexylethanone
cyclohexyl-(3-methylphenyl)methanone
CYCLOHEXYL 4-METHYLPHENYL KETONE
cyclohexyl o-tolyl ketone

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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