2-Butyl-4,4,6-trimethyl-1,3-dioxane
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2-Butyl-4,4,6-trimethyl-1,3-dioxane
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CAS No:
54546-26-8
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Formula:
C11H22O2
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Chemical Name:
2-Butyl-4,4,6-trimethyl-1,3-dioxane
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Synonyms:
1,3-Dioxane,2-butyl-4,4,6-trimethyl-;2-Butyl-4,4,6-trimethyl-1,3-dioxane;Herboxane
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CAS No:
Description
2-Butyl-4,4,6-trimethyl-1,3-dioxane is a colorless liquid with a spicy, herbaceous note . It is used to create freshness in fragrance compositions for use in all applications, especially in fabric care.
Characteristics
18.5
3.10670
Colourless pale yellow liquid
0.856 g/cm 3
207.1ºC at 760 mmHg
74.9ºC
1.413
Oral-rat LD50: > 5000 mg/kg
Thermal decomposition emits spicy and irritating smoke
Safety Information
Warehouse ventilated, low temperature and dry
P273, P501
H412
H412 (99.93%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]|P273, and P501|Aggregated GHS information provided by 1585 companies from 4 notifications to the ECHA C&L Inventory.
2-Butyl-4,4,6-trimethyl-1,3-dioxane Use and Manufacturing
1,3-Dioxane, 2-butyl-4,4,6-trimethyl-: ACTIVE
Computed Properties
Molecular Weight:186.29
XLogP3:3.1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:186.161979940
Monoisotopic Mass:186.161979940
Topological Polar Surface Area:18.5
Heavy Atom Count:13
Complexity:154
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2-Butyl-4,4,6-trimethyl-1,3-dioxane
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