(Q27291338)

cis-3-Hexenyl hexanoate (English)

14 October 2016

chemical formula

C₁₂H₂₂O₂

1 reference

cis-3-Hexenyl hexanoate (English)

14 October 2016

canonical SMILES

CCCCCC(=O)OCCC=CCC

1 reference

cis-3-Hexenyl hexanoate (English)

14 October 2016

isomeric SMILES

CCCCCC(=O)OCC/C=C\CC

1 reference

Compositional Analysis and Aroma Evaluation of Feijoa Essential Oils from New Zealand Grown Cultivars

cis-3-Hexenyl hexanoate (English)

14 October 2016

1 reference

Acca sellowiana

1 reference

Compositional Analysis and Aroma Evaluation of Feijoa Essential Oils from New Zealand Grown Cultivars

Vergonis planta

1 reference

The chemistry of food flavour. I. Volatile constituents of passionfruit, Passiflora edulis

Identifiers

InChI

InChI=1S/C12H22O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h5,7H,3-4,6,8-11H2,1-2H3/b7-5-

1 reference

cis-3-Hexenyl hexanoate (English)

14 October 2016

1 reference

Global Substance Registration System

cis-3-Hexenyl hexanoate (English)

14 October 2016

2 references

(3Z)-3-hexenyl hexanoate (English)

14 October 2016

https://commonchemistry.cas.org/detail?cas_rn=31501-11-8

8 April 2021

1 reference

(3Z)-3-Hexen-1-yl hexanoate (English)

14 October 2016

2 references

cis-3-Hexenyl hexanoate (English)

14 October 2016

ChEBI ID

171813

mapping relation type

exact match

2 references

ChEBI release 2022-06-13

International Chemical Identifier

InChI

InChI=1S/C12H22O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h5,7H,3-4,6,8-11H2,1-2H3/b7-5-

1 reference

CHEMBL3187552 (English)

14 October 2016

2 references

inferred from InChIKey

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

1 reference

2 references

DSSTOX compound identifier

DTXCID5027560

0 references

EC number

250-661-6

1 reference

Global Substance Registration System

(3Z)-3-hexenyl hexanoate (English)

ECHA Substance Infocard ID

14 October 2016

100.046.040

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.046.040

27 December 2018

AICS Chemical ID (BEING DELETED)

(Z)-hex-3-enyl hexanoate (English)

quotation

CAS no.: 31501-11-8 (English)

FL number

09.271

1 reference

quotation

CAS no.: 31501-11-8 (English)

23 January 2021

09.271

1 reference

28 December 2019

CIS-3-HEXENYL HEXANOATE (English)

quotation

CAS no.: 31501-11-8 (English)

1 reference

17809

0 references

Human Metabolome Database ID

HMDB0033378

2 references

based on heuristic

inferred from InChIKey

KNApSAcK ID

C00055585

2 references

based on heuristic

inferred from InChIKey

2 references

Global Substance Registration System

(3Z)-3-hexenyl hexanoate (English)

14 October 2016

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

0 references

1 reference

30 June 2018

0 references

165

1 reference

Evaluations of the Joint FAO/WHO Expert Committee on Food Additives (JECFA)