5-methyl hexanoic acid (Q27284388)

5-METHYLHEXANOIC ACID (English)

14 October 2016

chemical formula

C₇H₁₄O₂

1 reference

5-METHYLHEXANOIC ACID (English)

14 October 2016

canonical SMILES

CC(C)CCCC(=O)O

1 reference

Composition of the Essential Oil of Nepeta racemosa Lam.

5-METHYLHEXANOIC ACID (English)

14 October 2016

1 reference

Salvia dorisiana

1 reference

The Essential Oil ofSalvia dorisianaStandley

Thymus longicaulis

1 reference

The Occurrence of Three Chemotypes of Thymus longicaulis C. Presl. subsp. longicaulis in the Same Population

strawberries

1 reference

Organic acids from fresh California strawberries

Juglans nigra

1 reference

Headspace Constituents of FreshJuglans nigraL. Peels

Solanum pennellii

1 reference

Acylsugars of the wild tomato Lycopersicon pennellii in relation to geographic distribution of the species

Nicotiana tabacum

1 reference

Comparison of different extraction methods: steam distillation, simultaneous distillation and extraction and headspace co-distillation, used for the analysis of the volatile components in aged flue-cured tobacco leaves

Identifiers

InChI

InChI=1S/C7H14O2/c1-6(2)4-3-5-7(8)9/h6H,3-5H2,1-2H3,(H,8,9)

1 reference

5-METHYLHEXANOIC ACID (English)

14 October 2016

1 reference

Global Substance Registration System

5-METHYLHEXANOIC ACID (English)

14 October 2016

2 references

UNII

N1AK4X34C2

5-methyl hexanoic acid (English)

14 October 2016

https://commonchemistry.cas.org/detail?cas_rn=628-46-6

9 April 2021

1 reference

Isoenanthic acid (English)

14 October 2016

1 reference

5-METHYLHEXANOIC ACID (English)

14 October 2016

ChEBI ID

179997

mapping relation type

exact match

1 reference

ChEBI release 2022-06-13

1 reference

matched by identifier from

CHEMBL3182412 (English)

14 October 2016

2 references

inferred from InChIKey

MSBNK-Fac_Eng_Univ_Tokyo-JP009192

1 reference

MassBank accession ID

0 references

SPLASH

splash10-03kl-9000000000-af743c0a8f14eb41ed52

0 references

DSSTox substance ID

DTXSID8044252

1 reference

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

DSSTOX compound identifier

0 references

0 references

613-089-1

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.127.709

27 December 2018

ECHA Substance Infocard ID

5-methylhexanoic acid (English)

quotation

CAS no.: 628-46-6 (English)

100.127.709

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.127.709

27 December 2018

AICS Chemical ID (BEING DELETED)

5-methylhexanoic acid (English)

quotation

CAS no.: 628-46-6 (English)

FL number

08.061

1 reference

quotation

CAS no.: 628-46-6 (English)

23 January 2021

08.061

5447

0 references

Human Metabolome Database ID

HMDB0031595

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

matched by identifier from

KNApSAcK ID

C00062518

2 references

based on heuristic

inferred from InChIKey

UNII

N1AK4X34C2

1 reference

Global Substance Registration System

UNII

N1AK4X34C2

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

5-methyl hexanoic acid (English)

14 October 2016

1 reference

30 June 2018

0 references

266

1 reference

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