(Q27278101)

Octyl 2-furoate (English)

14 October 2016

chemical formula

C₁₃H₂₀O₃

1 reference

Octyl 2-furoate (English)

14 October 2016

canonical SMILES

CCCCCCCCOC(=O)C1=CC=CO1

1 reference

Octyl 2-furoate (English)

InChI=1S/C13H20O3/c1-2-3-4-5-6-7-10-16-13(14)12-9-8-11-15-12/h8-9,11H,2-7,10H2,1H3

14 October 2016

Identifiers

InChI

1 reference

Octyl 2-furoate (English)

14 October 2016

1 reference

Global Substance Registration System

Octyl 2-furoate (English)

14 October 2016

2 references

octyl 2-furoate (English)

14 October 2016

https://commonchemistry.cas.org/detail?cas_rn=39251-88-2

8 April 2021

1 reference

Octyl 2-furoate (English)

14 October 2016

2 references

Octyl 2-furoate (English)

14 October 2016

ChEBI ID

174156

mapping relation type

exact match

2 references

ChEBI release 2022-06-13

International Chemical Identifier

InChI

InChI=1S/C13H20O3/c1-2-3-4-5-6-7-10-16-13(14)12-9-8-11-15-12/h8-9,11H,2-7,10H2,1H3

SureChEMBL ID

SCHEMBL3506021

2 references

based on heuristic

inferred from InChIKey

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

1 reference

2 references

DSSTOX compound identifier

DTXCID00114994

0 references

EC number

254-378-9

1 reference

Global Substance Registration System

octyl 2-furoate (English)

ECHA Substance Infocard ID

14 October 2016

100.049.417

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.049.417

27 December 2018

AICS Chemical ID (BEING DELETED)

Octyl 2-furoate (English)

quotation

CAS no.: 39251-88-2 (English)

FL number

13.073

1 reference

quotation

CAS no.: 39251-88-2 (English)

23 January 2021

13.073

18899

0 references

Human Metabolome Database ID

HMDB0037726

2 references

based on heuristic

inferred from InChIKey

2 references

Global Substance Registration System

octyl 2-furoate (English)

14 October 2016

JECFA number

750

1 reference

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