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(3Z)-3-Hexen-1-yl octanoate

(3Z)-3-Hexen-1-yl octanoate structure

(3Z)-3-Hexen-1-yl octanoate 

structure
  • CAS No:

    61444-41-5

  • Formula:

    C14H26O2

  • Chemical Name:

    (3Z)-3-Hexen-1-yl octanoate

  • Synonyms:

    Octanoic acid,(3Z)-3-hexen-1-yl ester;Octanoic acid,3-hexenyl ester,(Z)-;Octanoic acid,(3Z)-3-hexenyl ester;(3Z)-3-Hexen-1-yl octanoate;cis-3-Hexenyl octanoate

(3Z)-3-Hexen-1-yl octanoate Basic Attributes

226.36

226.35

262-799-4

Characteristics

26.30000

4.24640

0.881±0.06 g/cm3(Predicted)

292.5ºC at 760 mmHg

91.4ºC

1.448

Safety Information

H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]|P273, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

(3Z)-3-Hexen-1-yl octanoate Use and Manufacturing

Food additives -> Flavoring Agents

Flavoring Agents

Computed Properties

Molecular Weight:226.35
XLogP3:4.9
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:11
Exact Mass:226.193280068
Monoisotopic Mass:226.193280068
Topological Polar Surface Area:26.3
Heavy Atom Count:16
Complexity:185
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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