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Reference substances

Reference substances

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General information

Inventory

EC number:
229-934-9
EC name:
1-isopropyl-2,2-dimethyltrimethylene diisobutyrate
CAS number:
6846-50-0

No inventory information available

Reference substance information

IUPAC name:
2,2,4-trimethylpentane-1,3-diyl bis(2-methylpropanoate)
Synonyms
Names:
Isobutyric acid, 1-isopropyl-2,2-dimethyltrimethylene ester
Propanoic acid, 2-methyl-, 2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl ester

CAS information

CAS number:
6846-50-0

Molecular and structural information

Molecular formula:
C16H30O4
Molecular weight:
286.407
SMILES notation:
CC(C)C(OC(=O)C(C)C)C(C)(C)COC(=O)C(C)C
InChl:
InChI=1/C16H30O4/c1-10(2)13(20-15(18)12(5)6)16(7,8)9-19-14(17)11(3)4/h10-13H,9H2,1-8H3
Structural formula:
Chemical structure