phenethyl 2-furoate (Q27292057)

Phenethyl 2-furoate (English)

14 October 2016

chemical formula

C₁₃H₁₂O₃

1 reference

Phenethyl 2-furoate (English)

14 October 2016

canonical SMILES

C1=CC=C(C=C1)CCOC(=O)C2=CC=CO2

1 reference

Phenethyl 2-furoate (English)

InChI=1S/C13H12O3/c14-13(12-7-4-9-15-12)16-10-8-11-5-2-1-3-6-11/h1-7,9H,8,10H2

14 October 2016

Identifiers

InChI

1 reference

Phenethyl 2-furoate (English)

14 October 2016

1 reference

Global Substance Registration System

Phenethyl 2-furoate (English)

14 October 2016

2 references

UNII

VWX2P7Q8FZ

phenethyl 2-furoate (English)

14 October 2016

https://commonchemistry.cas.org/detail?cas_rn=7149-32-8

9 April 2021

1 reference

2-Phenylethyl 2-furoate (English)

14 October 2016

2 references

Phenethyl 2-furoate (English)

14 October 2016

ChEBI ID

174094

mapping relation type

exact match

2 references

ChEBI release 2022-06-13

International Chemical Identifier

InChI

InChI=1S/C13H12O3/c14-13(12-7-4-9-15-12)16-10-8-11-5-2-1-3-6-11/h1-7,9H,8,10H2

1 reference

MassBank accession ID

MSBNK-Fac_Eng_Univ_Tokyo-JP009044

0 references

SPLASH

splash10-0udj-8900000000-25d5d3ade6100e5acda9

0 references

DSSTox substance ID

DTXSID90221707

2 references

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

DSSTOX compound identifier

0 references

0 references

13.006

1 reference

quotation

CAS no.: 7149-32-8 (English)

23 January 2021

13.006

AICS Chemical ID (BEING DELETED)

10858

0 references

Human Metabolome Database ID

HMDB0037723

2 references

based on heuristic

inferred from InChIKey

UNII

VWX2P7Q8FZ

2 references

Global Substance Registration System

UNII

VWX2P7Q8FZ

phenethyl 2-furoate (English)

14 October 2016

J-GLOBAL ID

200907027363168162

0 references

JECFA number

1517

1 reference

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