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2-Hexyl-4,5-dimethyl-1,3-dioxolane

2-Hexyl-4,5-dimethyl-1,3-dioxolane structure

CAS No:
6454-22-4
Formula:
C11H22O2
Chemical Name:
2-Hexyl-4,5-dimethyl-1,3-dioxolane
Synonyms:
1,3-Dioxolane,2-hexyl-4,5-dimethyl-;2-Hexyl-4,5-dimethyl-1,3-dioxolane;4,5-Dimethyl-2-hexyl-1,3-dioxolane;NSC 6594

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Description

Clear, colourless liquid; Dairy aroma with fruity overtones

2-Hexyl-4,5-dimethyl-1,3-dioxolane is a dioxolane.

2-Hexyl-4,5-dimethyl-1,3-dioxolane Basic Attributes

Molecular Weight：

186.295

Exact Mass：

186.29

EC Number：

229-261-0

UNII：

SI7098BB5P

NSC Number：

6594

HScode：

2932999099

Characteristics

PSA：

18.5

XLogP3：

3.10670

Appearance：

Clear, colourless liquid; Dairy aroma with fruity overtones

Density：

0.868 g/cm3

Boiling Point：

218ºC at 760 mmHg

Flash Point：

80.6ºC

Refractive Index：

1.626

Water Solubility：

Soluble in non-polar solvents

Safety Information

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

2-Hexyl-4,5-dimethyl-1,3-dioxolane Use and Manufacturing

Manufacturing Info：

1,3-Dioxolane, 2-hexyl-4,5-dimethyl-: INACTIVE

Use Classification：

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:186.29
XLogP3:3.6
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:186.161979940
Monoisotopic Mass:186.161979940
Topological Polar Surface Area:18.5
Heavy Atom Count:13
Complexity:126
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-Hexyl-4,5-dimethyl-1,3-dioxolane

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties

2-Hexyl-4,5-dimethyl-1,3-dioxolane

SDS

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