S-Allyl thiopropionate
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S-Allyl thiopropionate
structure -
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CAS No:
41820-22-8
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Formula:
C6H10OS
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Chemical Name:
S-Allyl thiopropionate
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Synonyms:
Propanethioic acid,S-2-propen-1-yl ester;Propanethioic acid,S-2-propenyl ester;S-Allyl thiopropionate;S-Allyl thiopropanoate;1-(Prop-2-en-1-ylsulfanyl)propan-1-one
- Categories:
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CAS No:
Characteristics
42.37000
1.84220
0.965 g/mL at 25 °C(lit.)
151.4ºC at 760 mmHg
119 °F
n20/D 1.482(lit.)
4266 mg/L @ 25 °C (est)
Safety Information
III
3
UN 1993 3/PG 3
3
10-36/37/38
16-26-36/37/39
Xi
|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 130 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
S-Allyl thiopropionate Use and Manufacturing
Spices for food.
Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index
Flavoring Agents
Computed Properties
Molecular Weight:130.21
XLogP3:1.8
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:130.04523611
Monoisotopic Mass:130.04523611
Topological Polar Surface Area:42.4
Heavy Atom Count:8
Complexity:88.5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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