(Q27159714)

Isopentyl hexanoate (English)

9 October 2016

chemical formula

C₁₁H₂₂O₂

1 reference

Isopentyl hexanoate (English)

20 November 2016

canonical SMILES

CCCCCC(=O)OCCC(C)C

1 reference

New Constituents ofBothriochloa bladhi

Isopentyl hexanoate (English)

20 November 2016

1 reference

Eucalyptus nitens

1 reference

Essential oil composition of juvenile leaves from coppiced Eucalyptus nitens

Hippophae rhamnoides

1 reference

In-tube Extraction and GC-MS Analysis of Volatile Components from Wild and Cultivated sea buckthorn (Hippophae rhamnoidesL. ssp.Carpatica) Berry Varieties and Juice

Mangifera indica

1 reference

Volatile components from mango (Mangifera indica L.) cultivars

Artemisia annua

1 reference

Chemical composition and antioxidant and antimicrobial activity of essential oil of Artemisia annua L. from Bosnia

Carica papaya

1 reference

Volatile components of papaya (Carica papaya L., Maradol variety) fruit

Identifiers

InChI

InChI=1S/C11H22O2/c1-4-5-6-7-11(12)13-9-8-10(2)3/h10H,4-9H2,1-3H3

1 reference

Isopentyl hexanoate (English)

20 November 2016

2 references

Isopentyl hexanoate (English)

20 November 2016

ChEBI release 2020-09-01

CAS Registry Number

2198-61-0

2 references

Global Substance Registration System

isoamyl hexanoate (English)

20 November 2016

https://commonchemistry.cas.org/detail?cas_rn=2198-61-0

10 April 2021

1 reference

3-Methylbutyl hexanoate (English)

20 November 2016

2 references

Isopentyl hexanoate (English)

20 November 2016

Reaxys registry number

1760611

1 reference

3-methylbutyl hexanoate (English)

9 October 2016

ChEBI ID

87542

mapping relation type

2 references

3-methylbutyl hexanoate (English)

9 October 2016

International Chemical Identifier

InChI

InChI=1S/C11H22O2/c1-4-5-6-7-11(12)13-9-8-10(2)3/h10H,4-9H2,1-3H3

SureChEMBL ID

SCHEMBL873505

2 references

based on heuristic

inferred from InChIKey

MSBNK-Fac_Eng_Univ_Tokyo-JP006991

1 reference

MassBank accession ID

0 references

MSBNK-Fac_Eng_Univ_Tokyo-JP005307

0 references

SPLASH

splash10-00dl-9000000000-ce193357386508bde105

0 references

DSSTox substance ID

DTXSID7062245

2 references

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

DSSTOX compound identifier

DTXCID2036582

0 references

EC number

218-600-8

1 reference

Global Substance Registration System

isoamyl hexanoate (English)

ECHA Substance Infocard ID

20 November 2016

100.016.910

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.016.910

27 December 2018

AICS Chemical ID (BEING DELETED)

Isopentyl hexanoate (English)

quotation

CAS no.: 2198-61-0 (English)

FL number

09.070

1 reference

quotation

CAS no.: 2198-61-0 (English)

23 January 2021

09.070

1 reference

28 December 2019

ISOAMYL HEXANOATE (English)

quotation

CAS no.: 2198-61-0 (English)

7351

0 references

Human Metabolome Database ID

HMDB0033618

2 references

based on heuristic

inferred from InChIKey

KNApSAcK ID

C00060824

2 references

based on heuristic

inferred from InChIKey

2 references

Global Substance Registration System

isoamyl hexanoate (English)

20 November 2016

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

1 reference

30 June 2018

0 references

46

1 reference

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