butyl hexanoate (Q3135039)

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chemical compound

Butyl caprylate
Hexanoic acid, butyl ester
N-Butyl hexanoate
N-Butyl caproate
N-Caproic acid N-butyl ester
Butyl caproate
N-Butyl N-hexanoate
Butyl ester of hexanoic acid
FEMA 2201

Language	Label	Description	Also known as
English	butyl hexanoate	chemical compound	Butyl caprylate Hexanoic acid, butyl ester N-Butyl hexanoate N-Butyl caproate N-Caproic acid N-butyl ester Butyl caproate N-Butyl N-hexanoate Butyl ester of hexanoic acid FEMA 2201

Statements

type of chemical entity

0 references

biogenic acyclic ester

0 references

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172.146±0 dalton

1 reference

language of work or name

Butyl hexanoate (English)

9 October 2016

chemical formula

C₁₀H₂₀O₂

1 reference

language of work or name

Butyl hexanoate (English)

19 November 2016

canonical SMILES

CCCCCC(=O)OCCCC

1 reference

language of work or name

Butyl hexanoate (English)

19 November 2016

Vanilla planifolia

1 reference

Identification of some Ester Compounds in Bourbon Vanilla Beans

Bothriochloa bladhii

1 reference

New Constituents ofBothriochloa bladhi

Prunus armeniaca

1 reference

Volatile constituents of apricot (Prunus armeniaca)

Spondias mombin

1 reference

Free and glycosidically bound aroma compounds in hog plum (Spondias mombins L.)

1 reference

Volatile organic compounds of Angelica gigas Nakai, Korean medicinal herb

Mangifera indica

1 reference

Volatile components from mango (Mangifera indica L.) cultivars

1 reference

Headspace examination of volatile emissions from ripening papaya (Carica papaya L., Solo variety)

Vergonis planta

1 reference

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

1 reference

Volatile organic compounds from feces and their potential for diagnosis of gastrointestinal disease

Identifiers

InChI=1S/C10H20O2/c1-3-5-7-8-10(11)12-9-6-4-2/h3-9H2,1-2H3

1 reference

language of work or name

Butyl hexanoate (English)

19 November 2016

RPRPDTXKGSIXMD-UHFFFAOYSA-N

2 references

language of work or name

Butyl hexanoate (English)

19 November 2016

ChEBI release 2020-09-01

CAS Registry Number

2 references

Global Substance Registration System

language of work or name

butyl hexanoate (English)

19 November 2016

RPRPDTXKGSIXMD-UHFFFAOYSA-N

CAS Common Chemistry

10 April 2021

https://commonchemistry.cas.org/detail?cas_rn=626-82-4

1 reference

language of work or name

Butylhexanoat (English)

9 October 2016

2 references

language of work or name

Butyl hexanoate (English)

19 November 2016

matched by identifier from

RPRPDTXKGSIXMD-UHFFFAOYSA-N

mapping relation type

2 references

language of work or name

Butyl hexanoate (English)

9 October 2016

matched by identifier from

International Chemical Identifier

InChI=1S/C10H20O2/c1-3-5-7-8-10(11)12-9-6-4-2/h3-9H2,1-2H3

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

RPRPDTXKGSIXMD-UHFFFAOYSA-N

UniChem compound ID

1 reference

MassBank accession ID

MSBNK-Fac_Eng_Univ_Tokyo-JP006988

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MSBNK-Fac_Eng_Univ_Tokyo-JP005305

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splash10-0ar4-9100000000-a9080f56e2b36fd03d56

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DSSTox substance ID

2 references

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

matched by identifier from

RPRPDTXKGSIXMD-UHFFFAOYSA-N

DSSTOX compound identifier

0 references

0 references

210-964-6

1 reference

Global Substance Registration System

language of work or name

butyl hexanoate (English)

19 November 2016

ECHA Substance Infocard ID

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

27 December 2018

Butyl hexanoate (English)

CAS no.: 626-82-4 (English)

09.063

1 reference

CAS no.: 626-82-4 (English)

23 January 2021

09.063

1 reference

CosIng database

28 December 2019

BUTYL HEXANOATE (English)

CAS no.: 626-82-4 (English)

AICS Chemical ID (BEING DELETED)

0 references

Human Metabolome Database ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

RPRPDTXKGSIXMD-UHFFFAOYSA-N

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

RPRPDTXKGSIXMD-UHFFFAOYSA-N

2 references

Global Substance Registration System

language of work or name

butyl hexanoate (English)

19 November 2016

matched by identifier from

RPRPDTXKGSIXMD-UHFFFAOYSA-N

1 reference

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

30 June 2018

Google Knowledge Graph ID

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JECFA database ID

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162

1 reference

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

13 May 2021

Sitelinks

Wikipedia(3 entries)

Wikibooks(0 entries)

Wikinews(0 entries)

Wikiquote(0 entries)

Wikisource(0 entries)

Wikiversity(0 entries)

Wikivoyage(0 entries)

Wiktionary(0 entries)

Multilingual sites(0 entries)

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