CAS No.41820-22-8,ALLYL THIOPROPIONATE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	41820-22-8
Name:	ALLYL THIOPROPIONATE

Formula:	C₆H₁₀OS
Molecular Weight:	130.21
Synonyms:	Propanethioicacid, S-2-propenyl ester (9CI);S-Allyl thiopropionate;
Density:	0.973 g/cm³
Boiling Point:	151.4 °C at 760 mmHg
Flash Point:	48.3 °C
Hazard Symbols:	Xi
Risk Codes:	10-36/37/38
Safety:	16-26-36/37/39
Transport Information:	UN 1993 3/PG 3
PSA:	42.37000
LogP:	1.84220

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Specification

The Allyl thiopropionate with its cas register number is 41820-22-8. It also can be called as Propanethioic acid, S-2-propenyl ester and the IUPAC Name about this chemical is S-prop-2-enyl propanethioate. It belongs to the following product categories, such as thioester Flavor, A-B, Alphabetical Listings, Flavors and Fragrances and so on.

Physical properties about Allyl thiopropionate are: (1)ACD/LogP: 2.08; (2)ACD/LogD (pH 5.5): 2.08; (3)ACD/LogD (pH 7.4): 2.08; (4)ACD/BCF (pH 5.5): 22.6; (5)ACD/BCF (pH 7.4): 22.6; (6)ACD/KOC (pH 5.5): 324.26; (7)ACD/KOC (pH 7.4): 324.26; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 42.37Å²; (11)Index of Refraction: 1.474; (12)Molar Refractivity: 37.59 cm³; (13)Molar Volume: 133.7 cm³; (14)Polarizability: 14.9x10^-24cm³; (15)Surface Tension: 30.9 dyne/cm; (16)Enthalpy of Vaporization: 38.83 kJ/mol; (17)Vapour Pressure: 3.67 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is flammable and it is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection and keep away from sources of ignition. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCC(=O)SCC=C
(2)InChI: InChI=1S/C6H10OS/c1-3-5-8-6(7)4-2/h3H,1,4-5H2,2H3
(3)InChIKey: GKRISGLFPMFKSX-UHFFFAOYSA-N