2-Methyl-4-propyl-1,3-oxathiane
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2-Methyl-4-propyl-1,3-oxathiane
structure -
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CAS No:
67715-80-4
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Formula:
C8H16OS
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Chemical Name:
2-Methyl-4-propyl-1,3-oxathiane
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Synonyms:
1,3-Oxathiane,2-methyl-4-propyl-;2-Methyl-4-propyl-1,3-oxathiane;Tropathiane;Oxanthia
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CAS No:
Description
Colorless liquid
2-methyl-4-propyl-1,3-oxathiane is an organosulfur heterocyclic compound and an oxacycle that is 1,3-oxathiane substituted by a methyl group at position 2 and a propyl group at position 4 respectively. It has a role as a metabolite. It is an organosulfur heterocyclic compound and an oxacycle.
2-Methyl-4-propyl-1,3-oxathiane Basic Attributes
160.28
160.28
261-699-8|614-109-1
DTXSID9047706
2934999090
Characteristics
34.53000
2.65460
0.975
54-56°C1mm
50 °C
1.4800
insoluble in water; miscible in alcohol and oil
Safety Information
III
3
UN 1993
3
10
3/7-15-36-3/9/49-29/56
H226
|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 205 companies from 4 notifications to the ECHA C&L Inventory.|H226 (31.66%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P271, P273, P280, P303+P361+P353, P304+P340, P305+P351+P338, P312, P337+P313, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 1519 companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2-Methyl-4-propyl-1,3-oxathiane Use and Manufacturing
Air care products
< 25,000 lb
1,3-Oxathiane, 2-methyl-4-propyl-, (2R,4S)-rel-: ACTIVE
Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index
Flavoring Agents
Computed Properties
Molecular Weight:160.28
XLogP3:2.7
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:160.09218630
Monoisotopic Mass:160.09218630
Topological Polar Surface Area:34.5
Heavy Atom Count:10
Complexity:95.3
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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