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1-(3 5-DIMETHOXYPHENYL)HEPTAN-1-ONE96

1-(3 5-DIMETHOXYPHENYL)HEPTAN-1-ONE96 structure

CAS No:
39192-51-3
Formula:
C15H22O3
Chemical Name:
1-(3 5-DIMETHOXYPHENYL)HEPTAN-1-ONE96
Synonyms:
1-(3,5-Dimethoxyphenyl)heptan-1-one;1-(3,5-DIMETHOXY-PHENYL)-HEPTAN-1-ONE;1-(3,5-dimethoxyphenyl)-1-Heptanone;MFCD03790005;1-(3 5-DIMETHOXYPHENYL)HEPTAN-1-ONE 96;PubChem23470;SCHEMBL2084002;CTK8B5188;DTXSID60393288;1,3-Dimethoxy-5-heptanoylbenzene

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1-(3 5-DIMETHOXYPHENYL)HEPTAN-1-ONE96 Basic Attributes

Molecular Weight：

250.336

Exact Mass：

250.15700

DSSTox ID：

DTXSID60393288

HScode：

2914509090

Characteristics

PSA：

35.5

XLogP3：

Density：

1.017 g/mL at 25ºC(lit.)

Melting Point：

26-30 °C(lit.)

Flash Point：

230 °F

Refractive Index：

n20/D 1.5190(lit.)

Safety Information

Packing level：

Ⅲ

Transport codes：

UN 2811 6.1/PG 3

wgk germany：

hazard class code：

22-43

safety instructions：

36/37

Marks：

Precautionary statement(s)：

P280-P301 + P310

Hazard Statements：

H301-H317-H413

GHS Classification：

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P272, P273, P280, P301+P310, P302+P352, P321, P330, P333+P313, P363, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:250.33
XLogP3:4
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:8
Exact Mass:250.15689456
Monoisotopic Mass:250.15689456
Topological Polar Surface Area:35.5
Heavy Atom Count:18
Complexity:228
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-(3 5-DIMETHOXYPHENYL)HEPTAN-1-ONE96

Basic Attributes
Characteristics
Safety Information
Computed Properties
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1-(3 5-DIMETHOXYPHENYL)HEPTAN-1-ONE96

SDS

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