-
Name
ALLYL THIOPROPIONATE
- EINECS
- CAS No. 41820-22-8
- Density 0.973 g/cm3
- Solubility
- Melting Point
- Formula C6H10OS
- Boiling Point 151.4 °C at 760 mmHg
- Molecular Weight 130.21
- Flash Point 48.3 °C
- Transport Information UN 1993 3/PG 3
- Appearance
- Safety 16-26-36/37/39
- Risk Codes 10-36/37/38
-
Molecular Structure
-
Hazard Symbols
Xi
- Synonyms Propanethioicacid, S-2-propenyl ester (9CI);S-Allyl thiopropionate;
- PSA 42.37000
- LogP 1.84220
Allyl thiopropionate 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
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