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1-[4-(Acetyloxy)-3-[(acetyloxy)methyl]phenyl]ethanone

1-[4-(Acetyloxy)-3-[(acetyloxy)methyl]phenyl]ethanone structure

CAS No:
24085-06-1
Formula:
C13H14O5
Chemical Name:
1-[4-(Acetyloxy)-3-[(acetyloxy)methyl]phenyl]ethanone
Synonyms:
Ethanone,1-[4-(acetyloxy)-3-[(acetyloxy)methyl]phenyl]-;Acetophenone,4′-hydroxy-3′-(hydroxymethyl)-,diacetate;1-[4-(Acetyloxy)-3-[(acetyloxy)methyl]phenyl]ethanone;4-Acetoxy-3-((acetoxy)methyl)acetophenone;2-Acetoxy-5-acetylbenzyl acetate;[5-Acetyl-2-(acetyloxy)phenyl]methyl acetate
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

Colourless Oil

1-[4-(Acetyloxy)-3-[(acetyloxy)methyl]phenyl]ethanone Basic Attributes

Molecular Weight：

250.25

Exact Mass：

250.25

EC Number：

607-317-9

UNII：

D9G7LF8YT8

DSSTox ID：

DTXSID8075207

HScode：

2915390090

Characteristics

PSA：

69.7

XLogP3：

1.87760

Density：

1.183g/cm3

Boiling Point：

150-160 °C @ Press: 0.3 Torr

Flash Point：

169.4ºC

Refractive Index：

1.513

Vapor Pressure：

4.98E-06mmHg at 25°C

Safety Information

Precautionary statement(s)：

P260, P261, P264, P270, P272, P273, P280, P301+P312, P302+P352, P305+P351+P338, P310, P314, P321, P330, P333+P313, P363, P391, P501

Hazard Statements：

H302

GHS Classification：

|Danger|H302: Harmful if swallowed [Warning Acute toxicity, oral]|P260, P261, P264, P270, P272, P273, P280, P301+P312, P302+P352, P305+P351+P338, P310, P314, P321, P330, P333+P313, P363, P391, and P501|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P261, P264, P270, P272, P273, P280, P301+P312, P302+P352, P305+P351+P338, P310, P314, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P391, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.|H272 (100%): May intensify fire; oxidizer [Danger Oxidizing liquids; Oxidizing solids]|P210, P220, P221, P260, P261, P264, P270, P272, P273, P280, P301+P312, P302+P352, P305+P351+P338, P310, P314, P321, P330, P332+P313, P333+P313, P362, P363, P370+P378, P391, and P501

Drug Information

MeSH Entry Terms：

4-acetoxy-3-acetoxymethylacetophenone

1-[4-(Acetyloxy)-3-[(acetyloxy)methyl]phenyl]ethanone Use and Manufacturing

Salmeterol intermediate.

Computed Properties

Molecular Weight:250.25
XLogP3:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:250.08412354
Monoisotopic Mass:250.08412354
Topological Polar Surface Area:69.7
Heavy Atom Count:18
Complexity:336
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-[4-(Acetyloxy)-3-[(acetyloxy)methyl]phenyl]ethanone

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Latest News
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1-[4-(Acetyloxy)-3-[(acetyloxy)methyl]phenyl]ethanone

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