2-Phenylacetophenone

HCID 9948
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Basic information

CAS
451-40-1
Standard SMILES
O=C(Cc1ccccc1)c1ccccc1
InChIKey
OTKCEEWUXHVZQI-UHFFFAOYSA-N
Molecular formula
C14H12O
Average molar mass
196.24 g/mol
Monoisotopic mass
196.088815

Overview

structure in first source

Names & identifiers

Preferred name
2-Phenylacetophenone
IUPAC
1,2-diphenylethanone
English name
2-Phenylacetophenone
Molecular formula
C14H12O
Molecular weight
196.24

Names & synonyms

Deoxybenzoin2-Phenylacetophenone451-40-1Benzyl phenyl ketoneEthanone, 1,2-diphenyl-DESOXYBENZOINPhenyl benzyl ketoneF17V6C9PZXNSC-131456RefChem:131924207-193-21,2-Diphenylethanone
Show more names
DiphenylethanoneALPHA-PHENYLACETOPHENONENSC 6097NSC 131456NSC 249236
1,2-Diphenylethan-1-oneAcetophenone, 2-phenyl-Benzoin, deoxy-MFCD000030811,2-diphenyl-ethanonedeoxy benzoinbenzylphenylketoneBzBn

Database identifiers

CAS
451-40-1
PubChem CID
9948
DTXSID
DTXSID6044430
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
54 · 54-55 °C (lit.)
Boiling point
320 °C · 320 °C (lit.)
Density
1 · 1,2 g/cm3
refractive index
1.592 · 1.5920 (estimate)
Flash point
230 °F · >230 °F
storage temp.
2 · 2-8°C

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%)

Safety data

F
8-10
PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
tsca
TSCA listed
rtecs
AM9662500
hs_code
29143900

Chemistry & industry

Uses & manufacturing

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

Applications

UsesDeoxybenzoin, is used as a benzoin derivative and as a photoinitiator in vinyl polymerization.

Uses2-Phenylacetophenone is a benzoin derivative used as a photoinitiator in vinyl polymerization.

Upstream & downstream products

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

Related reactions

250 records
New reaction record

Compound notes

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