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2-Phenylacetophenone

2-Phenylacetophenone structure

CAS No:
451-40-1
Formula:
C14H12O
Chemical Name:
2-Phenylacetophenone
Synonyms:
Ethanone,1,2-diphenyl-;Acetophenone,2-phenyl-;1,2-Diphenylethanone;Benzoin,deoxy-;Deoxybenzoin;Desoxybenzoin;Phenyl benzyl ketone;Benzyl phenyl ketone;2-Phenylacetophenone;1,2-Diphenylethan-1-one;α-Phenylacetophenone;Phenylmethyl phenyl ketone;NSC 131456;NSC 249236;NSC 6097
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

white to off-white crystalline powder

A benzoin derivative used as a photoinitiator in vinyl polymerization.

2-Phenylacetophenone Basic Attributes

Molecular Weight：

196.24

Exact Mass：

196.24

EC Number：

207-193-2

UNII：

F17V6C9PZX

NSC Number：

249236|131456|6097

DSSTox ID：

DTXSID6044430

HScode：

29143900

Characteristics

PSA：

17.1

XLogP3：

3.2

Appearance：

white crystals

Density：

1.1±0.1 g/cm3

Melting Point：

60 °C

Boiling Point：

320 °C

Flash Point：

137.0±14.2 °C

Refractive Index：

1.584

Water Solubility：

Soluble in water (partly), methanol, alcohols, and ketones.

Storage Conditions：

2-8ºC

Vapor Pressure：

1.84e-04 mmHg

Toxicity：

LD50 ivn-mus: 320 mg/kg CSLNX* NX#03836

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

safety instructions：

S22-S24/25

RTECS Number：

AM9662500

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

S24/25

Toxicity

Name	Type of Test	Exposure Route	Species Observed	Dose/Duration	Toxic Effects	Reference
ACUTE TOXICITY DATA	LD50 - Lethal dose, 50 percent kill	Intravenous	Rodent - mouse	320 mg/kg	Details of toxic effects not reported other than lethal dose value--	U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#03836

Drug Information

MeSH Entry Terms：

deoxybenzoin

2-Phenylacetophenone Use and Manufacturing

Uses

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

Manufacturing Info：

Ethanone, 1,2-diphenyl-: ACTIVE

Analysis Methods

Name	Column Shape	Active Phase(℃)	Retention index	Temperature Control	Method	Comments	Reference
Van Den Dool and Kratz RI, non-polar column, temperature ramp	Capillary	SE-54	1537.1		temperature ramp	25. m/0.32 mm/0.15 μm, He, 40. C @ 1. min, 5. K/min, 280. C @ 15. min	Shapi, M.M.Hesso, A.Thermal decomposition of polystyrene volatile compounds from large-scale pyrolysisJ. Anal. Appl. Pyrolysis1990, 18, 2, 143-161.

Computed Properties

Molecular Weight:196.24
XLogP3:3.2
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:196.088815002
Monoisotopic Mass:196.088815002
Topological Polar Surface Area:17.1
Heavy Atom Count:15
Complexity:197
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

10575-94-7

908094-04-2

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