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Citral propylene glycol acetal

Citral propylene glycol acetal structure

CAS No:
10444-50-5
Formula:
C13H22O2
Chemical Name:
Citral propylene glycol acetal
Synonyms:
1,3-Dioxolane,2-(2,6-dimethyl-1,5-heptadien-1-yl)-4-methyl-;1,3-Dioxolane,2-(2,6-dimethyl-1,5-heptadienyl)-4-methyl-;2-(2,6-Dimethyl-1,5-heptadien-1-yl)-4-methyl-1,3-dioxolane;Citral propylene glycol acetal;2-(2,6-Dimethylhepta-1,5-dienyl)-4-methyl-1,3-dioxolane
Categories:
Flavors and Fragrances > Natural Spices

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Citral propylene glycol acetal Basic Attributes

Molecular Weight：

210.31300

Exact Mass：

210.31

EC Number：

233-929-7

Characteristics

PSA：

18.46000

XLogP3：

3.44050

Density：

0.96g/cm3

Boiling Point：

265.6ºC

Flash Point：

118.7ºC

Refractive Index：

1.505

Vapor Pressure：

0.0149mmHg at 25°C

Safety Information

GHS Classification：

|Warning|H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]|P261, P272, P280, P302+P352, P321, P333+P313, P363, and P501|Aggregated GHS information provided by 25 companies from 1 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:210.31
XLogP3:3.6
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:210.161979940
Monoisotopic Mass:210.161979940
Topological Polar Surface Area:18.5
Heavy Atom Count:15
Complexity:249
Undefined Atom Stereocenter Count:2
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Citral propylene glycol acetal

Basic Attributes
Characteristics
Safety Information
Computed Properties
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