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1-(3,5-Dimethoxyphenyl)-1-pentanone

1-(3,5-Dimethoxyphenyl)-1-pentanone structure

CAS No:
5333-29-9
Formula:
C13H18O3
Chemical Name:
1-(3,5-Dimethoxyphenyl)-1-pentanone
Synonyms:
1-Pentanone,1-(3,5-dimethoxyphenyl)-;Valerophenone,3′,5′-dimethoxy-;1-(3,5-Dimethoxyphenyl)-1-pentanone;3,5-Dimethoxyphenyl butyl ketone;3′,5′-Dimethoxyvalerophenone;NSC 619;3,5-Methoxy-1-pentanoylbenzene

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1-(3,5-Dimethoxyphenyl)-1-pentanone Basic Attributes

Molecular Weight：

222.28000

Exact Mass：

222.28

NSC Number：

619

DSSTox ID：

DTXSID50277068

Characteristics

PSA：

35.53000

XLogP3：

3.07670

Density：

1.017g/cm3

Melting Point：

42-43 °C

Boiling Point：

175-177 °C

Flash Point：

138.7ºC

Refractive Index：

1.493

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P272, P280, P301+P312, P302+P352, P321, P330, P333+P313, P363, 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:222.28
XLogP3:2.9
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:222.125594432
Monoisotopic Mass:222.125594432
Topological Polar Surface Area:35.5
Heavy Atom Count:16
Complexity:203
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-(3,5-Dimethoxyphenyl)-1-pentanone

Basic Attributes
Characteristics
Safety Information
Computed Properties

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