2-ethylhexanethiol (Q27272737)

2-Ethyl-1-hexanethiol (English)

14 October 2016

chemical formula

C₈H₁₈S

1 reference

2-Ethyl-1-hexanethiol (English)

14 October 2016

canonical SMILES

CCCCC(CC)CS

1 reference

2-Ethyl-1-hexanethiol (English)

InChI=1S/C8H18S/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3

14 October 2016

Identifiers

InChI

1 reference

2-Ethyl-1-hexanethiol (English)

14 October 2016

1 reference

Global Substance Registration System

2-Ethyl-1-hexanethiol (English)

14 October 2016

2 references

2-ethylhexanethiol (English)

14 October 2016

https://commonchemistry.cas.org/detail?cas_rn=7341-17-5

9 April 2021

1 reference

2-Ethyl-1-hexanethiol (English)

14 October 2016

2 references

2-Ethyl-1-hexanethiol (English)

14 October 2016

ChEBI ID

167084

mapping relation type

exact match

2 references

ChEBI release 2021-03-01

International Chemical Identifier

InChI

InChI=1S/C8H18S/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3

SureChEMBL ID

SCHEMBL186018

2 references

based on heuristic

inferred from InChIKey

1 reference

1 reference

DSSTOX compound identifier

DTXCID50812594

0 references

EC number

230-854-1

1 reference

Global Substance Registration System

2-ethylhexanethiol (English)

ECHA Substance Infocard ID

14 October 2016

100.028.049

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.028.049

27 December 2018

Human Metabolome Database ID

2-ethylhexane-1-thiol (English)

quotation

CAS no.: 7341-17-5 (English)

FL number

12.128

1 reference

quotation

CAS no.: 7341-17-5 (English)

23 January 2021

12.128

HMDB0041477

2 references

based on heuristic

inferred from InChIKey

2 references

Global Substance Registration System

2-ethylhexanethiol (English)

14 October 2016

JECFA database ID

2774

0 references

JECFA number

519

1 reference

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