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Octanoic acid, 2-(hydroxymethyl)-2-[[(1-oxooctyl)oxy]methyl]-1,3-propanediyl ester

Octanoic acid, 2-(hydroxymethyl)-2-[[(1-oxooctyl)oxy]methyl]-1,3-propanediyl ester structure

CAS No:
59400-09-8
Formula:
C29H54O7
Chemical Name:
Octanoic acid, 2-(hydroxymethyl)-2-[[(1-oxooctyl)oxy]methyl]-1,3-propanediyl ester
Synonyms:
Octanoic acid,2-(hydroxymethyl)-2-[[(1-oxooctyl)oxy]methyl]-1,3-propanediyl ester;Pentaerythritol tricaprylate

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Octanoic acid, 2-(hydroxymethyl)-2-[[(1-oxooctyl)oxy]methyl]-1,3-propanediyl ester Basic Attributes

Molecular Weight：

514.73500

Exact Mass：

514.73

EC Number：

261-735-2

UNII：

Z808H25F4M

DSSTox ID：

DTXSID70208132

Characteristics

PSA：

99.13000

XLogP3：

6.67620

Density：

0.999g/cm3

Boiling Point：

574.3ºC

Flash Point：

169.2ºC

Refractive Index：

1.468

Computed Properties

Molecular Weight:514.7
XLogP3:8.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:28
Exact Mass:514.38695406
Monoisotopic Mass:514.38695406
Topological Polar Surface Area:99.1
Heavy Atom Count:36
Complexity:488
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Octanoic acid, 2-(hydroxymethyl)-2-[[(1-oxooctyl)oxy]methyl]-1,3-propanediyl ester

Basic Attributes
Characteristics
Computed Properties
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