cis-5-Octenal

HCID 6435869
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Basic information

CAS
41547-22-2
Standard SMILES
CC/C=C\CCCC=O
InChIKey
ZUSUVEKHEZURSD-ARJAWSKDSA-N
Molecular formula
C8H14O
Average molar mass
126.2 g/mol
Monoisotopic mass
126.10446507

Overview

See also: 5-Octenal, (5E)- (annotation moved to); Oct-5(cis)-enal (annotation moved to).

Names & identifiers

Preferred name
cis-5-Octenal
IUPAC
(Z)-oct-5-enal

Names & synonyms

cis-5-OctenalRefChem:537494(Z)-oct-5-enal5-Octenal, (5Z)-41547-22-25-Octenal, cis-FEMA No. 3749HPR19HV60P(Z)-5-octen-1-al(5z)-5-octenal(5z)-oct-5-enal5-Octenal, (Z)-
Show more names
UNII-HPR19HV60PZ-5-octenalCIS-5-OCTENAL [FHFI]SCHEMBL3504164SCHEMBL4357490DTXSID10885840Q27280047

Database identifiers

CAS
41547-22-2
PubChem CID
6435869
DTXSID
DTXSID10885840
UNII
HPR19HV60P
Nikkaji
J1.539.194D

Properties

Computed structural propertiesFilling in

XLogP
1.8
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
5
Heavy atoms
9

Experimental & physicochemical properties

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.845-0.853 (20 °C)
Solubility · 2 items

slightly soluble in water, soluble in alcohol and most fixed oils

(in ethanol)

Boiling Point62 °C
Refractive Index1.436-1.441
Physical Descriptioncolourless liquid with a fruity odour

Safety & regulation

Hazard information

Regulatory Information · 3 items

Chemical: 5-Octenal, (Z)-

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

5-Octenal, (5Z)-: Does not have an individual approval but may be used under an appropriate group standard

Chemistry & industry

Uses & manufacturing

Use Classification · 2 items

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

General Manufacturing Information5-Octenal, (5Z)-: ACTIVE

Suppliers2 total

BOC Sciences[email protected]
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]

Related reactions

1 records
New reaction record

Compound notes

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