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1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanone

1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanone structure

CAS No:
22776-09-6
Formula:
C11H12O3
Chemical Name:
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanone
Synonyms:
3,4-Trimethylendioxy-acetophenon; 7-Acetyl-3,4-dihydro-1,5-benzodioxepin; 3,4-Dihydro-1,5-benzodioxepin-7-yl-methyl-keton;

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1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanone Basic Attributes

Molecular Weight：

192.21100

Exact Mass：

192.078644241

DSSTox ID：

DTXSID40379489

HScode：

2932999099

Characteristics

PSA：

35.53000

XLogP3：

2.05050

Density：

1.146g/cm3

Boiling Point：

328.4ºC at 760mmHg

Flash Point：

143.5ºC

Refractive Index：

1.528

Vapor Pressure：

0.00019mmHg at 25°C

Safety Information

safety instructions：

S24/25

Marks：

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 5 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:192.21
XLogP3:0.9
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:192.078644241
Monoisotopic Mass:192.078644241
Topological Polar Surface Area:35.5
Heavy Atom Count:14
Complexity:215
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanone

Basic Attributes
Characteristics
Safety Information
Computed Properties

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