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Reference substances

Reference substances

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General information

Inventory

EC number:
242-375-5
EC name:
3-hydroxy-2,2-dimethyl-1-(1-methylethyl)propyl isobutyrate
CAS number:
18491-15-1

No inventory information available

Reference substance information

IUPAC name:
1-hydroxy-2,2,4-trimethylpentan-3-yl isobutyrate
Synonyms
Names:
1,3-Pentanediol, 2,2,4-trimethyl-, 3-isobutyrate
2,2,4-Trimethyl-1,3-pentanediol 3-isobutyrate
3-hydroxy-2,2-dimethyl-1-(1-methylethyl)propyl isobutyrate
3-hydroxy-2,2-dimethyl-1-(1-methylethyl)propyl_isobutyrate
Isobutyric acid, 3-hydroxy-1-isopropyl-2,2-dimethylpropyl ester
Identifier:
IUPAC name
3-hydroxy-1-isopropyl-2,2-dimethylpropyl 2-methylpropanoate
Identifier:
other: SMILES notation
CC(C)C(OC(=O)C(C)C)C(C)(C)CO
Identifier:
other: InChl
InChI=1/C12H24O3/c1-8(2)10(12(5,6)7-13)15-11(14)9(3)4/h8-10,13H,7H2,1-6H3

CAS information

CAS number:
18491-15-1

Molecular and structural information

Molecular formula:
C12H24O3
Molecular weight:
216.3
SMILES notation:
OCC(C)(C)C(C(C)C)OC(C(C)C)=O
InChl:
InChI=1S/C12H24O3/c1-8(2)10(12(5,6)7-13)15-11(14)9(3)4/h8-10,13H,7H2,1-6H3
Structural formula:
Chemical structure