1,2-Diphenylethanol

HCID 94178

Notes Reactions

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Basic information

CAS: 614-29-9
Standard SMILES: OC(Cc1ccccc1)c1ccccc1
InChIKey: GBGXVCNOKWAMIP-UHFFFAOYSA-N
Molecular formula: C14H14O
Average molar mass: 198.26 g/mol
Monoisotopic mass: 198.10446507

Names & identifiers

Preferred name: 1,2-Diphenylethanol
IUPAC: 1,2-diphenylethanol
English name: 1,2-diphenylethanol
Molecular formula: C14H14O
Molecular weight: 198.26

Names & synonyms

1,2-Diphenylethanol614-29-9Benzylphenylcarbinol1,2-Diphenyl-1-hydroxyethaneBenzeneethanol, .alpha.-phenyl-Ethanol, 1,2-diphenyl-.alpha.-Hydroxydibenzylalpha-HydroxydibenzylNSC 39NR12DKP8EP.alpha.-PhenylbenzeneethanolBenzeneethanol, alpha-phenyl-

Show more names

1,2-diphenylethan-1-olα-Benzylbenzyl alcoholα-Benzylbenzenemethanol(±)-1,2-DiphenylethanolBenzeneethanol, α-phenyl-

NSC-39EINECS 210-374-9NSC 227194NSC-227194DTXSID30870692alpha-PhenylbenzeneethanolRefChem:411819(+-)-1,2-Diphenylethanol

Database identifiers

CAS: 614-29-9
PubChem CID: 94178
DTXSID: DTXSID30870692
UNII: NR12DKP8EP
EC Number: 210-374-9
Nikkaji: J102.226A

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 166

Physicochemical properties

Melting point: 67 °C · 67°C
Boiling point: 295.58 °C · 295.58°C (rough estimate)
Density: 1.0074 · 1.0074 (rough estimate)
refractive index: 1.5381 · 1.5381 (estimate)
storage temp.: Store at room temperature
solubility: Chloroform (Slightly), Methanol (Very Slightly)
form: Solid
pka: 14.36 · 14.36±0.20(Predicted)
color: White
Odor: 100 % · at 100.00 %. floral orris
Odor Type: floral
optical activity: -0.3 ° · -0.3°(C=0.01g/mI, MEOH, 20°C, 589nm)
Water Solubility: 0.6 g/L · 0.6g/L(100 ºC)
LogP: 2.971 · 2.971 (est)
FDA UNII: 12 DKP8EP · NR12DKP8EP
EPA Substance Registry System: Benzeneethanol, .alpha.-phenyl- (614-29-9)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
TSCA: TSCA listed

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, 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

Regulatory InformationChemical: Benzeneethanol, .alpha.-phenyl-

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

tsca: TSCA listed
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501