2,2,4-trimethyl-1,3-pentanediol 3-isobutyrate (Q27272616)

1-hydroxy-2,2,4-trimethylpentan-3-yl 2-methylpropanoate (English)

14 October 2016

chemical formula

C₁₂H₂₄O₃

1 reference

1-hydroxy-2,2,4-trimethylpentan-3-yl 2-methylpropanoate (English)

14 October 2016

canonical SMILES

CC(C)C(C(C)(C)CO)OC(=O)C(C)C

1 reference

1-hydroxy-2,2,4-trimethylpentan-3-yl 2-methylpropanoate (English)

InChI=1S/C12H24O3/c1-8(2)10(12(5,6)7-13)15-11(14)9(3)4/h8-10,13H,7H2,1-6H3

14 October 2016

Identifiers

InChI

1 reference

1-hydroxy-2,2,4-trimethylpentan-3-yl 2-methylpropanoate (English)

OMIPYZUJVKWOLI-UHFFFAOYSA-N

14 October 2016

InChIKey

1 reference

Global Substance Registration System

1-hydroxy-2,2,4-trimethylpentan-3-yl 2-methylpropanoate (English)

14 October 2016

2 references

2,2,4-trimethyl-1,3-pentanediol 3-isobutyrate (English)

OMIPYZUJVKWOLI-UHFFFAOYSA-N

14 October 2016

InChIKey

10 April 2021

https://commonchemistry.cas.org/detail?cas_rn=18491-15-1

1 reference

1-Hydroxy-2,2,4-trimethyl-3-pentanyl 2-methylpropanoate (English)

14 October 2016

1 reference

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

1-hydroxy-2,2,4-trimethylpentan-3-yl 2-methylpropanoate (English)

14 October 2016

1 reference

1 reference

DSSTOX compound identifier

DTXCID10819903

0 references

EC number

242-375-5

1 reference

stated in

Global Substance Registration System

2,2,4-trimethyl-1,3-pentanediol 3-isobutyrate (English)

ECHA Substance Infocard ID

14 October 2016

100.038.508

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.038.508

27 December 2018

3-hydroxy-2,2-dimethyl-1-(1-methylethyl)propyl isobutyrate (English)

quotation

CAS no.: 18491-15-1 (English)

Global Substance Registration System

1 reference

stated in

2,2,4-trimethyl-1,3-pentanediol 3-isobutyrate (English)