(Q27237336)

BUTYL HEPTANOATE (English)

13 October 2016

chemical formula

C₁₁H₂₂O₂

1 reference

BUTYL HEPTANOATE (English)

13 October 2016

canonical SMILES

CCCCCCC(=O)OCCCC

1 reference

Volatile organic compounds of Angelica gigas Nakai, Korean medicinal herb

BUTYL HEPTANOATE (English)

13 October 2016

1 reference

Capsicum annuum

1 reference

Influence of different drying technologies on the volatile components of chilli (<I>Capsicum annuum</I> L.) powder

Identifiers

InChI

InChI=1S/C11H22O2/c1-3-5-7-8-9-11(12)13-10-6-4-2/h3-10H2,1-2H3

1 reference

BUTYL HEPTANOATE (English)

13 October 2016

1 reference

Global Substance Registration System

BUTYL HEPTANOATE (English)

13 October 2016

2 references

butyl heptanoate (English)

13 October 2016

https://commonchemistry.cas.org/detail?cas_rn=5454-28-4

9 April 2021

1 reference

Butyl heptanoate (English)

13 October 2016

2 references

BUTYL HEPTANOATE (English)

13 October 2016

ChEBI ID

179385

mapping relation type

exact match

2 references

ChEBI release 2022-06-13

International Chemical Identifier

InChI

InChI=1S/C11H22O2/c1-3-5-7-8-9-11(12)13-10-6-4-2/h3-10H2,1-2H3

SureChEMBL ID

SCHEMBL131585

2 references

based on heuristic

inferred from InChIKey

MSBNK-Fac_Eng_Univ_Tokyo-JP006422

1 reference

MassBank accession ID

0 references

SPLASH

splash10-0btc-9200000000-3f2b3965a678a6e80532

0 references

DSSTox substance ID

DTXSID9063906

2 references

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

DSSTOX compound identifier

0 references

0 references

226-707-6

1 reference

Global Substance Registration System

butyl heptanoate (English)

ECHA Substance Infocard ID

13 October 2016

100.024.279

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.024.279

27 December 2018

AICS Chemical ID (BEING DELETED)

Butyl heptanoate (English)

quotation

CAS no.: 5454-28-4 (English)

FL number

09.091

1 reference

quotation

CAS no.: 5454-28-4 (English)

23 January 2021

09.091

9141

0 references

Human Metabolome Database ID

HMDB0041559

2 references

based on heuristic

inferred from InChIKey

KNApSAcK ID

C00062153

2 references

based on heuristic

inferred from InChIKey

2 references

Global Substance Registration System

butyl heptanoate (English)

13 October 2016

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

1 reference

30 June 2018

0 references

169

1 reference

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