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Reference substances

Reference substances

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General information

Inventory

EC number:
246-771-9
EC name:
Isobutyric acid, monoester with 2,2,4-trimethylpentane-1,3-diol
CAS number:
25265-77-4

No inventory information available

Reference substance information

IUPAC name:
1-hydroxy-2,2,4-trimethylpentan-3-yl 2-methylpropanoate 3-hydroxy-2,2,4-trimethylpentyl 2-methylpropanoate
Synonyms
Names:
2-Methylpropanoic acid monoester with 2,2,4-trimethyl-1,3-pentanediol
Isobutyric acid, monoester with 2,2,4-trimethylpentane-1,3-diol
Propanoic acid, 2-methyl-, monoester with 2,2,4-trimethyl-1,3-pentanediol
Identifier:
CAS number
25265-77-4
Identifier:
IUPAC name
1-hydroxy-2,2,4-trimethylpentan-3-yl 2-methylpropanoate 3-hydroxy-2,2,4-trimethylpentyl 2-methylpropanoate
Identifier:
IUPAC name
3-hydroxy-2,2,4-trimethylpentyl isobutyrate 1-hydroxy-2,2,4-trimethylpentane-3-yl isobutyrate
Identifier:
IUPAC name
isobutyric acid, monoester with 2,2,4-trimethylpentane-1,3-diol
Identifier:
other: Molecular formula
C24H48O6
Identifier:
other: SMILES notation
CC(C)C(C(C)(C)COC(=O)C(C)C)O; C(C(C)(C)C(OC(=O)C(C)C)C(C)C)O[H]
Identifier:
other: InChl
InChI=1S/C12H24O3/c1-8(2)10(13)12(5,6)7-15-11(14)9(3)4/h8-10,13H,7H2,1-6H3; InChI=1S/C12H24O3/c1-8(2)10(12(5,6)7-13)15-11(14)9(3)4/h8-10,13H,7H2,1-6H3
3-hydroxy-2,2,4-trimethylpentyl 2-methylpropanoate

CAS information

CAS number:
25265-77-4

Molecular and structural information

Molecular formula:
C12H24O3
Molecular weight:
216.317
SMILES notation:
CC(C)C(O)C(C)(C)COC(=O)C(C)C
InChl:
InChI=1/C12H24O3/c1-8(2)10(13)12(5,6)7-15-11(14)9(3)4/h8-10,13H,7H2,1-6H3
Structural formula:
Chemical structure