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3-Butene-1,2-diol,1-(4-methylbenzenesulfonate), (2R)-

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Name

3-Butene-1,2-diol,1-(4-methylbenzenesulfonate), (2R)-

EINECS N/A
CAS No. 138249-07-7 Density 1.234 g/cm3
PSA 71.98000 LogP 2.32800
Solubility N/A Melting Point 58-63 °C
Formula C11H14O4S Boiling Point 398.3 °C at 760 mmHg
Molecular Weight 242.296 Flash Point 194.7 °C
Transport Information N/A Appearance white to light yellow crystal powder
Safety 26 24 25 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 138249-07-7 ((R)-1-TOSYLOXY-3-BUTEN-2-OL) Hazard Symbols IrritantXi
Synonyms

3-Butene-1,2-diol,1-(4-methylbenzenesulfonate), (R)-;

Article Data 6

3-Butene-1,2-diol,1-(4-methylbenzenesulfonate), (2R)- Specification

The 3-Butene-1,2-diol,1-(4-methylbenzenesulfonate), (2R)- is an organic compound with the formula C11H14O4S. The systematic name of this chemical is (2R)-2-hydroxybut-3-en-1-yl 4-methylbenzenesulfonate. With the CAS registry number 138249-07-7, it is also named as (R)-3-Butene-1,2-diol 1-tosylate. The product's category is Chiral. Besides, it is a white to light yellow crystal powder, which should be stored in a closed cool and dry place at temperature of 2 - 8 °C.

Physical properties about 3-Butene-1,2-diol,1-(4-methylbenzenesulfonate), (2R)- are: (1)ACD/LogP: 1.57 ; (2)ACD/LogD (pH 5.5): 1.57; (3)ACD/LogD (pH 7.4): 1.57; (4)ACD/BCF (pH 5.5): 9.15; (5)ACD/BCF (pH 7.4): 9.15; (6)ACD/KOC (pH 5.5): 169.72; (7)ACD/KOC (pH 7.4): 169.72; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 60.98 Å2; (12)Index of Refraction: 1.541; (13)Molar Refractivity: 61.73 cm3; (14)Molar Volume: 196.3 cm3; (15)Polarizability: 24.47×10-24cm3; (16)Surface Tension: 44.2 dyne/cm; (17)Density: 1.234 g/cm3; (18)Flash Point: 194.7 °C; (19)Enthalpy of Vaporization: 68.43 kJ/mol; (20)Boiling Point: 398.3 °C at 760 mmHg; (21)Vapour Pressure: 4.65E-07 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, avoid contact with skin and eyes. 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)SMILES: O=S(=O)(OC[C@H](O)\C=C)c1ccc(cc1)C
(2)InChI: InChI=1/C11H14O4S/c1-3-10(12)8-15-16(13,14)11-6-4-9(2)5-7-11/h3-7,10,12H,1,8H2,2H3/t10-/m1/s1
(3)InChIKey: YQSCDBZHHLIPOI-SNVBAGLBBA
(4)Std. InChI: InChI=1S/C11H14O4S/c1-3-10(12)8-15-16(13,14)11-6-4-9(2)5-7-11/h3-7,10,12H,1,8H2,2H3/t10-/m1/s1
(5)Std. InChIKey: YQSCDBZHHLIPOI-SNVBAGLBSA-N

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