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Diisoamyl succinate

Diisoamyl succinate structure

CAS No:
818-04-2
Formula:
C14H26O4
Chemical Name:
Diisoamyl succinate
Synonyms:
Butanedioic acid,1,4-bis(3-methylbutyl) ester;Succinic acid,diisopentyl ester;Butanedioic acid,bis(3-methylbutyl) ester;Diisopentyl succinate;Diisoamyl succinate
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Diisoamyl succinate Basic Attributes

Molecular Weight：

258.35400

Exact Mass：

258.35

EC Number：

212-448-6

DSSTox ID：

DTXSID80231370

Characteristics

PSA：

52.60000

XLogP3：

2.94520

Density：

0.966 g/cm3

Boiling Point：

281.1ºC at 760 mmHg

Flash Point：

122.6ºC

Refractive Index：

1.439

Diisoamyl succinate Use and Manufacturing

Use Classification：

Food additives -> Flavoring Agents

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:258.35
XLogP3:3.7
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:11
Exact Mass:258.18310931
Monoisotopic Mass:258.18310931
Topological Polar Surface Area:52.6
Heavy Atom Count:18
Complexity:220
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes