4-Phenyl-cyclohexanecarboxylic acid

HCID 344812

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Basic information

CAS: 7494-76-0
Standard SMILES: O=C(O)C1CCC(c2ccccc2)CC1
InChIKey: SYYSTPDYCASVSQ-UHFFFAOYSA-N
Molecular formula: C13H16O2
Average molar mass: 204.26 g/mol
Monoisotopic mass: 204.11502975

Names & identifiers

Preferred name: 4-Phenyl-cyclohexanecarboxylic acid
IUPAC: 4-phenylcyclohexane-1-carboxylic acid
English name: 4-Phenyl-cyclohexanecarboxylic acid
Molecular formula: C13H16O2
Molecular weight: 204.26

Names & synonyms

4-Phenyl-cyclohexanecarboxylic acidRefChem:526387691-418-87494-76-04-Phenylcyclohexanecarboxylic acid4-phenylcyclohexane-1-carboxylic acidtrans-4-Phenylcyclohexanecarboxylic acid1466-73-5MFCD00452664MFCD24479551trans-4-henylcyclohexanecarboxylic acidAtovaquone Impurity 23

Show more names

Cyclohexanecarboxylic acid, 4-phenyl-4-phenylcyclohexane-1-carboxylic acid - [P25203]

Cyclohexanecarboxylic acid, 4-phenyl-, trans-Cambridge id 5301879(1r,4r)-4-Phenylcyclohexane-1-carboxylic acidOprea1_230010Oprea1_60980056288-51-8SCHEMBL664284SCHEMBL2511695

Database identifiers

CAS: 7494-76-0
PubChem CID: 344812
DTXSID: DTXSID10996445
EC Number: 691-418-8
Nikkaji: J274.231D

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 211

Physicochemical properties

storage temp.: 2 · 2-8°C
Appearance: Off-white to light yellow Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H332-H319-H312
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501
Hazard Codes: Xi
HazardClass: IRRITANT

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_class: IRRITANT
Hazard statements: H302-H332-H319-H312
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501