phenyl butyrate (Q27288012)

phenyl butanoate (English)

14 October 2016

chemical formula

C₁₀H₁₂O₂

1 reference

phenyl butanoate (English)

20 November 2016

canonical SMILES

CCCC(=O)OC1=CC=CC=C1

1 reference

phenyl butanoate (English)

InChI=1S/C10H12O2/c1-2-6-10(11)12-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3

20 November 2016

Identifiers

InChI

1 reference

phenyl butanoate (English)

IGVPBCZDHMIOJH-UHFFFAOYSA-N

20 November 2016

InChIKey

1 reference

phenyl butanoate (English)

20 November 2016

2 references

phenyl butyrate (English)

IGVPBCZDHMIOJH-UHFFFAOYSA-N

20 November 2016

InChIKey

8 April 2021

https://commonchemistry.cas.org/detail?cas_rn=4346-18-3

1 reference

Phenyl butyrate (English)

20 November 2016

1 reference

phenyl butanoate (English)

20 November 2016

ChEBI ID

180407

mapping relation type

exact match

1 reference

MSBNK-Fac_Eng_Univ_Tokyo-JP008562

ChEBI release 2022-06-13

1 reference

MassBank accession ID

0 references

SPLASH

splash10-0006-9000000000-1fad10cfe43dc1f09a35

0 references

DSSTox substance ID

DTXSID30195857

1 reference

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

DSSTOX compound identifier

DTXCID70118348

0 references

EC number

224-405-9

1 reference

phenyl butyrate (English)

ECHA Substance Infocard ID

20 November 2016

100.022.188

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.022.188

27 December 2018

Phenyl butyrate (English)

quotation

CAS no.: 4346-18-3 (English)

RxNorm ID

1545685

1 reference

phenyl butyrate (English)

Human Metabolome Database ID

20 November 2016

HMDB0041612

1 reference

based on heuristic

inferred from InChIKey

1 reference

phenyl butyrate (English)