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Details

Stereochemistry RACEMIC
Molecular Formula C12H24O3
Molecular Weight 216.3172
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,2,4-TRIMETHYL-1,3-PENTANEDIOL 3-ISOBUTYRATE

SMILES

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

InChI

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

HIDE SMILES / InChI

Molecular Formula C12H24O3
Molecular Weight 216.3172
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Dec 16 01:34:32 GMT 2023
Edited
by admin
on Sat Dec 16 01:34:32 GMT 2023
Record UNII
9J6J5RYM63
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,2,4-TRIMETHYL-1,3-PENTANEDIOL 3-ISOBUTYRATE
Common Name English
(±)-2,2,4-TRIMETHYL-1,3-PENTANEDIOL 3-ISOBUTYRATE
Common Name English
PROPANOIC ACID, 2-METHYL-, 3-HYDROXY-2,2-DIMETHYL-1-(1-METHYLETHYL)PROPYL ESTER
Common Name English
ISOBUTYRIC ACID, 3-HYDROXY-1-ISOPROPYL-2,2-DIMETHYLPROPYL ESTER
Common Name English
2,2,4-TRIMETHYL-1,3-PENTANEDIOL 3-ISOBUTYRATE, (±)-
Common Name English
1-HYDROXY-2,2,4-TRIMETHYLPENTYL 3-ISOBUTYRATE
Common Name English
1,3-PENTANEDIOL, 2,2,4-TRIMETHYL-, 3-ISOBUTYRATE
Common Name English
Code System Code Type Description
PUBCHEM
86755
Created by admin on Sat Dec 16 01:34:32 GMT 2023 , Edited by admin on Sat Dec 16 01:34:32 GMT 2023
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FDA UNII
9J6J5RYM63
Created by admin on Sat Dec 16 01:34:32 GMT 2023 , Edited by admin on Sat Dec 16 01:34:32 GMT 2023
PRIMARY
EPA CompTox
DTXSID50872294
Created by admin on Sat Dec 16 01:34:32 GMT 2023 , Edited by admin on Sat Dec 16 01:34:32 GMT 2023
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ECHA (EC/EINECS)
242-375-5
Created by admin on Sat Dec 16 01:34:32 GMT 2023 , Edited by admin on Sat Dec 16 01:34:32 GMT 2023
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CAS
18491-15-1
Created by admin on Sat Dec 16 01:34:32 GMT 2023 , Edited by admin on Sat Dec 16 01:34:32 GMT 2023
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