TRANS-2-HEPTENAL
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TRANS-2-HEPTENAL
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CAS No:
2463-63-0
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Formula:
C7H12O
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Chemical Name:
TRANS-2-HEPTENAL
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Synonyms:
T2 HEPTENAL;TRANS-2-HEPTEN-1-AL;TIMTEC-BB SBB006612;butylacrolein;HEPT-2(TRANS)-ENAL;FEMA 3165;(E)-2-HEPTEN-1-AL;2-hepten-1-al,2-hepten-1-al,2-heptenal,butylacrolein
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CAS No:
Description
2-Heptenal has a pungent green somewhat fatty odor, pleasant only on extreme dilution.
ChEBI: An enal consisting of hept-2-ene having an oxo group at the 1-position.
Characteristics
17.07000
1.93170
Colourless mobile liquid; Pungent green, somewhat fatty aroma
0.857 g/mL at 25 °C(lit.)
90-91 °C50 mm Hg(lit.)
53.7ºC
n20/D1.450(lit.)
Soluble in oils; Insoluble in water
>1 (vs air)
at 0.10 % in dipropylene glycol. green fatty
5.0×10-2mol/(m3Pa) at 25℃, Hilal et al. (2008)
Safety Information
UN 1988 3/PG 3
3
Xn
16-36/37
MJ8795000
Xn: Harmful;
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
10-20/21-43
UN 1988 3/PG 3
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