(Q27252314)

2-Methyl-4-phenylbutanal (English)

14 October 2016

chemical formula

C₁₁H₁₄O

1 reference

2-Methyl-4-phenylbutanal (English)

14 October 2016

canonical SMILES

CC(CCC1=CC=CC=C1)C=O

1 reference

2-Methyl-4-phenylbutanal (English)

InChI=1S/C11H14O/c1-10(9-12)7-8-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3

14 October 2016

Identifiers

InChI

1 reference

2-Methyl-4-phenylbutanal (English)

14 October 2016

1 reference

Global Substance Registration System

2-Methyl-4-phenylbutanal (English)

14 October 2016

2 references

2-methyl-4-phenylbutyraldehyde (English)

14 October 2016

https://commonchemistry.cas.org/detail?cas_rn=40654-82-8

8 April 2021

1 reference

2-Methyl-4-phenylbutanal (English)

14 October 2016

2 references

2-Methyl-4-phenylbutanal (English)

14 October 2016

SureChEMBL ID

SCHEMBL1976468

2 references

based on heuristic

inferred from InChIKey

1 reference

1 reference

DSSTOX compound identifier

DTXCID60814347

0 references

EC number

255-022-5

1 reference

Global Substance Registration System

2-methyl-4-phenylbutyraldehyde (English)

ECHA Substance Infocard ID

14 October 2016

100.050.003

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.050.003

27 December 2018

AICS Chemical ID (BEING DELETED)

2-methyl-4-phenylbutyraldehyde (English)

quotation

CAS no.: 40654-82-8 (English)

FL number

05.046

1 reference

quotation

CAS no.: 40654-82-8 (English)

23 January 2021

05.046

19055

0 references

Human Metabolome Database ID

HMDB0032415

2 references

based on heuristic

inferred from InChIKey

2 references

Global Substance Registration System

2-methyl-4-phenylbutyraldehyde (English)

14 October 2016

JECFA number

1462

1 reference

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