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Isoamyl decanoate

Isoamyl decanoate structure

CAS No:
2306-91-4
Formula:
C15H30O2
Chemical Name:
Isoamyl decanoate
Synonyms:
Decanoic acid,3-methylbutyl ester;Decanoic acid,isopentyl ester;Isopentyl alcohol,decanoate;Isoamyl caprate;Isoamyl decanoate;Isopentyl decanoate;3-Methylbutyl decanoate;Isopentyl caprate
Categories:
Organic Chemistry > Carboxylic Acids and Derivatives

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Description

3-Methylbutyl decanoate is a fatty acid ester.

Isoamyl decanoate Basic Attributes

Molecular Weight：

242.4

Exact Mass：

242.40

EC Number：

218-982-6

UNII：

Z10YO60833

DSSTox ID：

DTXSID7062320

HScode：

2915900090

Characteristics

PSA：

26.30000

XLogP3：

4.71640

Density：

0.865g/cm3

Boiling Point：

124 °C / 3mmHg

Flash Point：

148°C

Refractive Index：

1.436

Water Solubility：

0.134 mg/L @ 25 °C (est)

Safety Information

Precautionary statement(s)：

P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362

Hazard Statements：

H315

GHS Classification：

Not Classified

Isoamyl decanoate Use and Manufacturing

Manufacturing Info：

Decanoic acid, 3-methylbutyl ester: ACTIVE

Use Classification：

Food additives -> Flavoring Agents|Fatty Acyls [FA] -> Fatty esters [FA07] -> Wax monoesters [FA0701]

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:242.40
XLogP3:5.9
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:12
Exact Mass:242.224580195
Monoisotopic Mass:242.224580195
Topological Polar Surface Area:26.3
Heavy Atom Count:17
Complexity:176
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes