(Q27277945)

Heptyl 2-methylpropanoate (English)

14 October 2016

chemical formula

C₁₁H₂₂O₂

1 reference

Heptyl 2-methylpropanoate (English)

14 October 2016

canonical SMILES

CCCCCCCOC(=O)C(C)C

1 reference

Rapid Differentiation of Chinese Hops Varieties (Humulus lupulus) Using Volatile Fingerprinting by HS-SPME-GC-MS Combined with Multivariate Statistical Analysis.

Heptyl 2-methylpropanoate (English)

14 October 2016

2 references

Assessment of the phytochemical profiles of novel hop (Humulus lupulus L.) cultivars: A potential route to beer crafting

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

1 reference

Heptyl 2-methylpropanoate (English)

14 October 2016

1 reference

Global Substance Registration System

Heptyl 2-methylpropanoate (English)

14 October 2016

2 references

https://commonchemistry.cas.org/detail?cas_rn=2349-13-5

heptyl isobutyrate (English)

14 October 2016

6 April 2021

1 reference

Heptyl 2-methylpropanoate (English)

14 October 2016

1 reference

Heptyl 2-methylpropanoate (English)

14 October 2016

ChEBI ID

179379

mapping relation type

exact match

2 references

matched by identifier from

ChEBI release 2022-06-13

International Chemical Identifier

InChI

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

SureChEMBL ID

SCHEMBL277754

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

MSBNK-Fac_Eng_Univ_Tokyo-JP006977

1 reference

MassBank accession ID

0 references

SPLASH

splash10-0596-9000000000-5dbbf52836e457833bc1

0 references

DSSTox substance ID

DTXSID6062339

1 reference

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

DSSTOX compound identifier

DTXCID1036880

0 references

EC number

219-076-3

1 reference

Global Substance Registration System

heptyl isobutyrate (English)

ECHA Substance Infocard ID

14 October 2016

100.017.343

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.017.343

27 December 2018

AICS Chemical ID (BEING DELETED)

Heptyl isobutyrate (English)

quotation

CAS no.: 2349-13-5 (English)

FL number

09.420

1 reference

quotation

CAS no.: 2349-13-5 (English)

23 January 2021

09.420

7479

0 references

Human Metabolome Database ID

HMDB0040171

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

KNApSAcK ID

C00060969

1 reference

based on heuristic

inferred from InChIKey

1 reference

Global Substance Registration System

heptyl isobutyrate (English)

14 October 2016

0 references

190

1 reference

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