Toluene-4-sulfonic acid oxetan-3-yl ester supplier

Name
TOLUENE-4-SULFONIC ACID OXETAN-3-YL ESTER
EINECS
CAS No. 26272-83-3
Article Data22
CAS DataBase
Density 1.34 g/cm³
Solubility
Melting Point 81.0 to 86.0 °C
Formula C₁₀H₁₂O₄S
Boiling Point 371.6 °C at 760 mmHg
Molecular Weight 228.269
Flash Point 178.5 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols
Synonyms 2-Propanol,1,3-epoxy-, p-toluenesulfonate (8CI);3-Oxetanol, 4-methylbenzenesulfonate(9CI);3-Oxetanyl tosylate;3-Oxetyl p-toluenesulfonate;Oxetan-3-yl4-methylbenzenesulfonate;Toluene-4-sulfonic acid oxetan-3-yl ester;
PSA 60.98000
LogP 2.17990

Toluene-4-sulfonic acid oxetan-3-yl ester Specification

The Toluene-4-sulfonic acid oxetan-3-yl ester with its cas register number is 26272-83-3. It also can be called as 3-Oxetanol,3-(4-methylbenzenesulfonate) and the IUPAC Name about this chemical is oxetan-3-yl 4-methylbenzenesulfonate.

Physical properties about are: (1)ACD/LogP: 0.68; (2)ACD/LogD (pH 5.5): 0.68; (3)ACD/LogD (pH 7.4): 0.68; (4)ACD/BCF (pH 5.5): 1.95; (5)ACD/BCF (pH 7.4): 1.95; (6)ACD/KOC (pH 5.5): 56.09; (7)ACD/KOC (pH 7.4): 56.09; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 60.98Å²; (11)Index of Refraction: 1.568; (12)Molar Refractivity: 55.5 cm³; (13)Molar Volume: 169.6 cm³; (14)Polarizability: 22x10^-24cm³; (15)Surface Tension: 49.9 dyne/cm; (16)Enthalpy of Vaporization: 59.43 kJ/mol; (17)Vapour Pressure: 2.18E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(OC1COC1)c2ccc(C)cc2
(2)InChI: InChI=1/C10H12O4S/c1-8-2-4-10(5-3-8)15(11,12)14-9-6-13-7-9/h2-5,9H,6-7H2,1H3
(3)InChIKey: UMFWNFVHKAJOSE-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C10H12O4S/c1-8-2-4-10(5-3-8)15(11,12)14-9-6-13-7-9/h2-5,9H,6-7H2,1H3
(5)Std. InChIKey: UMFWNFVHKAJOSE-UHFFFAOYSA-N

Product Name

TOLUENE-4-SULFONIC ACID OXETAN-3-YL ESTER

Toluene-4-sulfonic acid oxetan-3-yl ester Specification

Related Products

Hot Products