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Methyl heneicosanoate

Methyl heneicosanoate structure

CAS No:
6064-90-0
Formula:
C22H44O2
Chemical Name:
Methyl heneicosanoate
Synonyms:
Heneicosanoic acid,methyl ester;Methyl heneicosanoate;Methyl n-heneicosanoate;n-Heneicosanoic acid methyl ester
Categories:
Analytical Chemistry > Standard

Description

White wax-like solid. Insoluble in water; soluble inalcohol and ether. Combustible.

Methyl henicosanoate is a fatty acid methyl ester resulting from the formal condensation of the carboxy group of henicosanoic acid with methanol. It has a role as a plant metabolite. It derives from a henicosanoic acid.

Methyl heneicosanoate Basic Attributes

Molecular Weight：

340.58

Exact Mass：

340.58

EC Number：

227-994-0

DSSTox ID：

DTXSID70209447

HScode：

2915900090

Characteristics

PSA：

26.30000

XLogP3：

7.59120

Appearance：

crystalline

Density：

0.861 g/cm3

Melting Point：

47.2 °C

Boiling Point：

207 °C4 mm Hg(lit.)

Flash Point：

113 °C

Refractive Index：

1.447

Storage Conditions：

2-8°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

Methyl heneicosanoate Use and Manufacturing

Intermediate in organic synthesis.

Computed Properties

Molecular Weight:340.6
XLogP3:10.6
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:20
Exact Mass:340.334130642
Monoisotopic Mass:340.334130642
Topological Polar Surface Area:26.3
Heavy Atom Count:24
Complexity:250
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes