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2-Heptenal

2-Heptenal structure

CAS No:
2463-63-0
Formula:
C7H12O
Chemical Name:
2-Heptenal
Synonyms:
2-Heptenal;2-Hepten-1-al;Butylacrolein;3-Butyl-acrolein

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Description

2-Heptenal has a pungent green somewhat fatty odor, pleasant only on extreme dilution.

2-Heptenal Basic Attributes

Molecular Weight：

112.17000

Exact Mass：

112.17

EC Number：

242-608-0

HScode：

2912190090

Characteristics

PSA：

17.07000

XLogP3：

1.93170

Appearance：

Colourless mobile liquid; Pungent green, somewhat fatty aroma

Density：

0.864 g/cm³ @ Temp: 17 °C

Boiling Point：

166 °C

Flash Point：

53.7ºC

Refractive Index：

n20/D 1.450(lit.)

Water Solubility：

Soluble in oils; Insoluble in water

Safety Information

Transport codes：

UN 1988 3/PG 3

wgk germany：

hazard class code：

10-20/21-43

safety instructions：

16-36/37

Marks：

Xn: Harmful;

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P261, P264, P270, P272, P280, P301+P312, P302+P352, P303+P361+P353, P312, P321, P322, P330, P333+P313, P361, P363, P370+P378, P403+P235, P405, P501

Hazard Statements：

H226

Computed Properties

Molecular Weight:112.17
XLogP3:2.1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:112.088815002
Monoisotopic Mass:112.088815002
Topological Polar Surface Area:17.1
Heavy Atom Count:8
Complexity:74.5
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-Heptenal

Description
Basic Attributes
Characteristics
Safety Information
Computed Properties

2-Heptenal

SDS

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