4-Phenylcyclohexanol

HCID 79497CAS 5437-46-7

Substructure search Find similar structures

Basic information

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-ol7335-12-8Cyclohexanol, 4-phenyl-

Show more names

RMA-266NSC 17139NSC 16118TIMTEC-BB SBB0085794-Phenylcyclohexanol,c&t4-Phenylcyclohexanol,98+%4-PHENYLCYCLOHEXANOL ---WHITE CRYSTALS, 99%---

cis-4-phenylcyclohexanoltrans-4-Phenylcyclohexan-1-ol4alpha-Phenylcyclohexan-1alpha-ol(1R,4R)-4-PHENYLCYCLOHEXAN-1-OL(1r,4r)-4-Phenylcyclohexanol(1s,4s)-4-phenylcyclohexan-1-olMFCD00013757MFCD09259965

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 properties

XLogP: 2.6
Topological polar surface area: 20.2 Å²
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

GHS classification

GHS Classification · 6 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.