2-Phenylacetophenone

HCID 178804659CAS 13892-81-4
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(Cc1ccccc1)c1ccccc1
InChIKey
OTKCEEWUXHVZQI-UHFFFAOYSA-N
Molecular formula
C14H12O
Average molar mass
196.24 g/mol

Overview

structure in first source

Names & identifiers

Preferred name
2-Phenylacetophenone
IUPAC
1,2-diphenylethanone
English name
Benzyl phenyl ketone
Molecular formula
C16H14O2
Molecular weight
238.28

Names & synonyms

Deoxybenzoin2-Phenylacetophenone451-40-1Benzyl phenyl ketoneEthanone, 1,2-diphenyl-DESOXYBENZOINPhenyl benzyl ketoneF17V6C9PZXNSC-131456RefChem:131924207-193-21,2-Diphenylethanone
Show more names
Benayl Phenyl KetoneBenzenemethanol, α-(phenylmethylene)-, 1-acetate, (αZ)-
1,2-Diphenylethan-1-oneAcetophenone, 2-phenyl-Benzoin, deoxy-MFCD000030811,2-diphenyl-ethanonedeoxy benzoinbenzylphenylketoneBzBn

Database identifiers

CAS
13892-81-4
ChEMBL
CHEMBL3182695
UNII
F17V6C9PZX
EC Number
207-193-2
Nikkaji
J5.751G

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
3
Heavy atoms
15

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Aromatic Ketones
SpringerMaterials PropertiesBoiling point
LogP3.18
Physical DescriptionWhite crystalline solid; [Alfa Aesar MSDS]

Physicochemical properties

Melting point
100 · 100-100.5 °C(Solv: methanol (67-56-1))
Boiling point
346 · 346.0±31.0 °C(Predicted)
Density
1.121 · 1.121±0.06 g/cm3(Predicted)

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 66.7% (2 of 3) of all reports.

Warning

H315 (33.3%): 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 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 3 items

Chemical: Ethanone, 1,2-diphenyl-

Status: Active Update: 27-09-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/18186

Ethanone, 1,2-diphenyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryIntravenous LD50 (mouse) = 320 mg/kg; [RTECS] May cause irritation; [Alfa Aesar MSDS] See Benzoin and Hydrobenzoin.
Hazard Classes and CategoriesSkin Irrit. 2 (33.3%)

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationEthanone, 1,2-diphenyl-: ACTIVE

Suppliers1 total

杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]

Related reactions

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