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2-Methyl-4-pentyl-1,3-dioxane

2-Methyl-4-pentyl-1,3-dioxane structure

CAS No:
202188-43-0
Formula:
C10H20O2
Chemical Name:
2-Methyl-4-pentyl-1,3-dioxane
Synonyms:
1,3-Dioxane,2-methyl-4-pentyl-;2-Methyl-4-pentyl-1,3-dioxane

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Description

Liquid|Clear, colourless liquid; Green, ethereal aroma

Acetaldehyde 1,3-octanediol acetal is a member of dioxanes.

2-Methyl-4-pentyl-1,3-dioxane Basic Attributes

Molecular Weight：

172.26500

Exact Mass：

172.26

EC Number：

606-465-1

UNII：

V0W9UH6J00

Characteristics

PSA：

18.46000

XLogP3：

2.71820

Density：

0.900-0.906

Boiling Point：

206.922ºC

Flash Point：

74.789ºC

Refractive Index：

1.421

Water Solubility：

Insoluble in water; soluble in organic solvents|Soluble (in ethanol)

Vapor Pressure：

0.333mmHg at 25°C

2-Methyl-4-pentyl-1,3-dioxane Use and Manufacturing

Use Classification：

Flavoring Agents -> JECFA Flavorings Index

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:172.26
XLogP3:3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:172.146329876
Monoisotopic Mass:172.146329876
Topological Polar Surface Area:18.5
Heavy Atom Count:12
Complexity:114
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-Methyl-4-pentyl-1,3-dioxane

Description
Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties

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