(S)-2,2-Dimethyl-1,3-dioxolane-4-methanol p-toluenesulfonate supplier

Name
(S)-2,2-Dimethyl-1,3-dioxolane-4-methanol p-toluenesulfonate
EINECS
CAS No. 23735-43-5
Article Data23
CAS DataBase
Density 1.198 g/cm³
Solubility
Melting Point 29-31 °C
Formula C₁₃H₁₈O₅S
Boiling Point 400.1 °C at 760 mmHg
Molecular Weight 286.349
Flash Point 195.8 °C
Transport Information
Appearance white to light yellow crystal powder
Safety 26-36-37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 1,3-Dioxolane-4-methanol,2,2-dimethyl-, 4-methylbenzenesulfonate, (4S)- (9CI);1,3-Dioxolane-4-methanol,2,2-dimethyl-, 4-methylbenzenesulfonate, (S)-;1,3-Dioxolane-4-methanol,2,2-dimethyl-, p-toluenesulfonate, L- (8CI);((S)-(+)-2,2-Dimethyl-1,3-dioxolan-4-yl)methyl p-toluenesulfonate;(S)-(2,2-Dimethyl-1,3-dioxolan-4-yl)methyl 4-methylbenzenesulfonate;4-Methylbenzenesulfonic acid (S)-(2,2-dimethyl-1,3-dioxolan-4-yl)methyl ester;Toluene-4-sulfonic acid (S)-2,2-dimethyl-[1,3]dioxolan-4-ylmethyl ester;p-Toluenesulfonic acid ((4S)-2,2-dimethyl-1,3-dioxolan-4-yl)methyl ester;
PSA 70.21000
LogP 2.93260

(S)-2,2-Dimethyl-1,3-dioxolane-4-methanol p-toluenesulfonate Specification

The CAS register number of (S)-2,2-Dimethyl-1,3-dioxolane-4-methanol p-toluenesulfonate is 23735-43-5. It also can be called as (s)-(+)-2,2-Dimethyl-1,3-dioxolane-4-ylmethyl p-toluenesulfonate and the IUPAC name about this chemical is [(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate. The molecular formula about this chemical is C₁₃H₁₈O₅S and the molecular weight is 286.34. It belongs to the following product categories, such as Chiral; Chiral Building Blocks; Dioxanes & Dioxolanes; Dioxolanes; Glycidyl Compounds, etc. (Chiral); Synthetic Organic Chemistry and so on.

Physical properties about (S)-2,2-Dimethyl-1,3-dioxolane-4-methanol p-toluenesulfonate are: (1)ACD/LogP: 1.58; (2)#H bond acceptors: 5; (3)#Freely Rotating Bonds: 4; (4)Polar Surface Area: 70.21Å²; (5)Index of Refraction: 1.506; (6)Molar Refractivity: 71.14 cm³; (7)Molar Volume: 239 cm³; (8)Polarizability: 28.2x10^-24cm³; (9)Surface Tension: 36.5 dyne/cm; (10)Enthalpy of Vaporization: 62.55 kJ/mol; (11)Boiling Point: 400.1 °C at 760 mmHg; (12)Vapour Pressure: 3.01E-06 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, wear suitable protective clothing, gloves and eye/face protection. 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)(OCC1OC(OC1)(C)C)c2ccc(cc2)C
(2)InChI: InChI=1/C13H18O5S/c1-10-4-6-12(7-5-10)19(14,15)17-9-11-8-16-13(2,3)18-11/h4-7,11H,8-9H2,1-3H3
(3)InChIKey: SRKDUHUULIWXFT-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C13H18O5S/c1-10-4-6-12(7-5-10)19(14,15)17-9-11-8-16-13(2,3)18-11/h4-7,11H,8-9H2,1-3H3
(5)Std. InChIKey: SRKDUHUULIWXFT-UHFFFAOYSA-N

Product Name

(S)-2,2-Dimethyl-1,3-dioxolane-4-methanol p-toluenesulfonate

(S)-2,2-Dimethyl-1,3-dioxolane-4-methanol p-toluenesulfonate Specification

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