(Q27282877)

cis-3-Hexenyl 3-methylbutanoate (English)

14 October 2016

chemical formula

C₁₁H₂₀O₂

1 reference

cis-3-Hexenyl 3-methylbutanoate (English)

14 October 2016

canonical SMILES

CCC=CCCOC(=O)CC(C)C

1 reference

cis-3-Hexenyl 3-methylbutanoate (English)

14 October 2016

isomeric SMILES

CC/C=C\CCOC(=O)CC(C)C

1 reference

Volatile constituents of Matricaria matricarioides

cis-3-Hexenyl 3-methylbutanoate (English)

14 October 2016

1 reference

Matricaria matricarioides

1 reference

Volatile constituents of Matricaria matricarioides

Artemisia annua

1 reference

Composition of the essential oil from the root of Artemisia annua

Mentha canadensis

1 reference

Differentiation of mint (Mentha haplocalyx Briq.) from different regions in China using gas and liquid chromatography

Chamomilla suaveolens

1 reference

Volatile constituents of Matricaria matricarioides

corn mint

1 reference

Differentiation of mint (Mentha haplocalyx Briq.) from different regions in China using gas and liquid chromatography

Identifiers

InChI

InChI=1S/C11H20O2/c1-4-5-6-7-8-13-11(12)9-10(2)3/h5-6,10H,4,7-9H2,1-3H3/b6-5-

1 reference

cis-3-Hexenyl 3-methylbutanoate (English)

14 October 2016

1 reference

Global Substance Registration System

cis-3-Hexenyl 3-methylbutanoate (English)

14 October 2016

2 references

(3Z)-3-hexenyl isovalerate (English)

14 October 2016

https://commonchemistry.cas.org/detail?cas_rn=35154-45-1

9 April 2021

1 reference

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

14 October 2016

2 references

cis-3-Hexenyl 3-methylbutanoate (English)

14 October 2016

ChEBI ID

172060

mapping relation type

exact match

2 references

ChEBI release 2022-06-13

International Chemical Identifier

InChI

InChI=1S/C11H20O2/c1-4-5-6-7-8-13-11(12)9-10(2)3/h5-6,10H,4,7-9H2,1-3H3/b6-5-

SureChEMBL ID

SCHEMBL573191

2 references

based on heuristic

inferred from InChIKey

1 reference

NMRShiftDB structure ID

20201365

1 reference

DSSTox substance ID

DTXSID2052029

2 references

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

DSSTOX compound identifier

DTXCID4030596

0 references

EC number

252-404-3

1 reference

Global Substance Registration System

(3Z)-3-hexenyl isovalerate (English)

ECHA Substance Infocard ID

14 October 2016

100.047.626

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.047.626

27 December 2018

AICS Chemical ID (BEING DELETED)

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

quotation

CAS no.: 35154-45-1 (English)

1 reference

28 December 2019

CIS-3-HEXENYL ISOVALERATE (English)

quotation

CAS no.: 35154-45-1 (English)

18290

0 references

Human Metabolome Database ID

HMDB0038278

2 references

based on heuristic

inferred from InChIKey

2 references

Global Substance Registration System

(3Z)-3-hexenyl isovalerate (English)

14 October 2016

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

1 reference