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Furfuryl octanoate

Furfuryl octanoate structure

CAS No:
39252-03-4
Formula:
C13H20O3
Chemical Name:
Furfuryl octanoate
Synonyms:
Octanoic acid,2-furanylmethyl ester;Octanoic acid,furfuryl ester;Furfuryl octanoate
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

Furfuryl octanoate is a fatty acid ester.

Furfuryl octanoate Basic Attributes

Molecular Weight：

224.3

Exact Mass：

224.30

EC Number：

254-381-5

UNII：

24FE04Z37C

DSSTox ID：

DTXSID8068171

Characteristics

PSA：

39.4 Å²

XLogP3：

4.159 (est)

Density：

0.978 g/mL at 25 °C(lit.)

Boiling Point：

139 °C10 mm Hg(lit.)

Refractive Index：

n20/D 1.46(lit.)

Water Solubility：

5.737 mg/L @ 25 °C (est)|insoluble in water; soluble in oils|miscible (in ethanol)

Safety Information

wgk germany：

Furfuryl octanoate Use and Manufacturing

Manufacturing Info：

Octanoic acid, 2-furanylmethyl ester: ACTIVE

Use Classification：

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

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:224.30
XLogP3:3.7
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:9
Exact Mass:224.14124450
Monoisotopic Mass:224.14124450
Topological Polar Surface Area:39.4
Heavy Atom Count:16
Complexity:192
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes