Basic information
- CAS
108062-27-7- Standard SMILES
O=C(O)CC1CCC(c2ccccc2)CC1- InChIKey
PBYZBGVGPMEGRS-UHFFFAOYSA-N- Molecular formula
- C14H18O2
- Average molar mass
- 218.29 g/mol
- Monoisotopic mass
- 218.13067981
Names & identifiers
- Preferred name
- 2-(4-phenylcyclohexyl)acetic Acid
- IUPAC
- 2-(4-phenylcyclohexyl)acetic acid
- English name
- 2-(4-phenylcyclohexyl)acetic acid
- Molecular formula
- C14H18O2
- Molecular weight
- 218.29
Names & synonyms
2-(4-phenylcyclohexyl)acetic Acid108062-27-7DTXSID20323369RefChem:252807DTXCID60274487826-762-152092-29-2148962-93-0trans-4-Phenylcyclohexaneacetic acid2-((1R,4R)-4-phenylcyclohexyl)acetic acid2-((1s,4s)-4-phenylcyclohexyl)acetic acidCyclohexaneacetic acid, 4-phenyl-, trans-
Show more names
Cyclohexaneacetic acid, 4-phenyl-
rel-2-((1S,4S)-4-phenylcyclohexyl)acetic acid(4-phenylcyclohexyl)acetic acidCyclohexaneacetic acid, 4-phenyl-, cis-MFCD034142654-Phenyl-cyclohexaneacetic AcidCyclohexaneacetic acid,4-phenyl-,trans-orb3144521SCHEMBL2446400
Database identifiers
- CAS
108062-27-7- PubChem CID
- 345877
- DTXSID
DTXSID20323369- EC Number
- 121-586-5、826-762-1
- Nikkaji
- J540.904G
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 223
Physicochemical properties
- Melting point
- 112.5 · 112.5-113.5 °C
- Boiling point
- 379.1 · 379.1±11.0 °C(Predicted)
- Density
- 1.076 · 1.076±0.06 g/cm3(Predicted)
- pka
- 4.72 · 4.72±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H302-H335-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
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
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, P319, P321, P330, 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. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H302-H335-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers3 total
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
上海珂臻医药科技有限公司021-021-021-31663258 13795219287 · [email protected]
ANHUI WITOP BIOTECH CO., LTD+8618071025641 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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