Basic information
- CAS
5638-33-5- Standard SMILES
O=C(O)C(Cc1ccccc1)C1CCCCC1- InChIKey
JRILKALTDODAHU-UHFFFAOYSA-N- Molecular formula
- C15H20O2
- Average molar mass
- 232.32 g/mol
- Monoisotopic mass
- 232.14632988
Names & identifiers
- Preferred name
- 2-Cyclohexyl-3-phenylpropanoic acid
- IUPAC
- 2-cyclohexyl-3-phenylpropanoic acid
Names & synonyms
2-cyclohexyl-3-phenylpropanoic acidRefChem:470932886-167-85638-33-5NSC31604FAA63833NSC-31604AKOS017972533CS-0253603G47187EN300-6475307Z1321939907
Database identifiers
- CAS
5638-33-5- PubChem CID
- 233245
- EC Number
- 886-167-8
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 237
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H303 (100%): May be harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 5 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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