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3-[4-(1,1-Dimethylethyl)phenyl]-2-propenal

3-[4-(1,1-Dimethylethyl)phenyl]-2-propenal structure

CAS No:
84434-23-1
Formula:
C13H16O
Chemical Name:
3-[4-(1,1-Dimethylethyl)phenyl]-2-propenal
Synonyms:
2-Propenal,3-[4-(1,1-dimethylethyl)phenyl]-;Cinnamaldehyde,p-tert-butyl-;3-[4-(1,1-Dimethylethyl)phenyl]-2-propenal;4-tert-Butylcinnamaldehyde;p-tert-Butylcinnamaldehyde

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3-[4-(1,1-Dimethylethyl)phenyl]-2-propenal Basic Attributes

Molecular Weight：

188.26600

Exact Mass：

188.27

EC Number：

282-823-7

HScode：

2912299000

Characteristics

PSA：

17.07000

XLogP3：

3.19620

Density：

0.968g/cm3

Melting Point：

63-64 °C

Boiling Point：

130-134 °C @ Press: 2.5 Torr

Flash Point：

117.1ºC

Refractive Index：

1.537

Safety Information

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P272, P280, P302+P352, P321, P332+P313, P333+P313, P362, P363, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:188.26
XLogP3:3.5
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:188.120115130
Monoisotopic Mass:188.120115130
Topological Polar Surface Area:17.1
Heavy Atom Count:14
Complexity:202
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-[4-(1,1-Dimethylethyl)phenyl]-2-propenal

Basic Attributes
Characteristics
Safety Information
Computed Properties

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