4-Phenylcyclohexanol
Completing data — refresh the page later to see the latest
Basic information
- CAS
5437-46-7- Standard SMILES
OC1CCC(c2ccccc2)CC1- InChIKey
YVVUSIMLVPJXMY-UHFFFAOYSA-N- Molecular formula
- C12H16O
- Average molar mass
- 176.25 g/mol
- Monoisotopic mass
- 176.12011513
Names & identifiers
- Preferred name
- 4-Phenylcyclohexanol
- IUPAC
- 4-phenylcyclohexan-1-ol
- English name
- 4-PHENYLCYCLOHEXANOL
- Molecular formula
- C12H16O
- Molecular weight
- 176.25
Names & synonyms
4-Phenylcyclohexanol5437-46-74-Phenylcyclohexan-1-olDTXSID90969470RefChem:1071408DTXCID90905454226-613-5trans-4-phenylcyclohexanol5769-13-1cis-4-Phenylcyclohexan-1-ol7335-12-8cis-4-phenylcyclohexanol
Show more names
RMA-266NSC 17139NSC 16118TIMTEC-BB SBB0085794-Phenylcyclohexanol,c&t4-Phenylcyclohexanol,98+%4-PHENYLCYCLOHEXANOL ---WHITE CRYSTALS, 99%---
Cyclohexanol, 4-phenyl-trans-4-Phenylcyclohexan-1-ol(1R,4R)-4-PHENYLCYCLOHEXAN-1-OLMFCD00013757(1r,4r)-4-Phenylcyclohexanol4alpha-Phenylcyclohexan-1alpha-ol(1s,4s)-4-phenylcyclohexan-1-olMFCD09259965
Database identifiers
- CAS
5437-46-7、5769-13-1、7335-12-8- PubChem CID
- 79497
- DTXSID
DTXSID101373146- EC Number
- 226-613-5、227-295-0、230-841-0
- Nikkaji
- J81.032K、J81.090H、J81.372I
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 141
Physicochemical properties
- Melting point
- 116 · 116-118℃
- Boiling point
- 295.8 · 295.8±29.0℃ (760 Torr)
- Density
- 1.051 · 1.051±0.06 g/cm3 (20 ºC 760 Torr)
- Flash point
- 113.3 · 113.3±16.5℃
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 15.18 · 15.18±0.40(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- HS Code
- 2906290090 · 2906290090
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, 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)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Hazard information
Hazard Classes and Categories
Acute Tox. 4 (100%)
Skin Irrit. 2 (100%)
Acute Tox. 4 (100%)
Safety data
- hs_code
- 2906290090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Related reactions
11 records
Compound notes
Loading…