cis-3-Hexenyl salicylate
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cis-3-Hexenyl salicylate
structure -
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CAS No:
65405-77-8
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Formula:
C13H16O3
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Chemical Name:
cis-3-Hexenyl salicylate
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Synonyms:
Benzoic acid,2-hydroxy-,(3Z)-3-hexen-1-yl ester;Benzoic acid,2-hydroxy-,3-hexenyl ester,(Z)-;Benzoic acid,2-hydroxy-,(3Z)-3-hexenyl ester;cis-3-Hexenyl salicylate;(3Z)-Hexenyl salicylate;cis-3-Hexen-1-yl salicylate
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CAS No:
Description
(Z)-3-Hexenyl salicyla has been identified in carnation flower absolute. It is a colorless liquid with a long-lasting, sweet, green balsamic odor.
Liquid
Characteristics
46.53000
4.57
Colorless to pale yellow liquid
1.1±0.1 g/cm3
271 °C(lit.)
>230 °F
1.538
Safety Information
NONH for all modes of transport
2
36/37/38
26-36
VO3500000
Xi
P261-P305 + P351 + P338
H315-H319-H335
cis-3-Hexenyl salicylate Use and Manufacturing
Intermediates
Air care products
100,000 - 500,000 lb
All other chemical product and preparation manufacturing|Benzoic acid, 2-hydroxy-, (3Z)-3-hexen-1-yl ester: ACTIVE
EPA Safer Chemical Functional Use Classes -> Fragrances|Safer Chemical Classes -> Yellow triangle - The chemical has met Safer Choice Criteria for its functional ingredient-class, but has some hazard profile issues
Computed Properties
Molecular Weight:220.26
XLogP3:4.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:220.109944368
Monoisotopic Mass:220.109944368
Topological Polar Surface Area:46.5
Heavy Atom Count:16
Complexity:235
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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