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

Name
(S)-(+)-2,2-Dimethyl-1,3-dioxolane-4-methanol
EINECS 244-910-8
CAS No. 22323-82-6
Article Data85
CAS DataBase
Density 1.034 g/cm³
Solubility miscible in water
Melting Point
Formula C₆H₁₂O₃
Boiling Point 188.5 °C at 760 mmHg
Molecular Weight 132.159
Flash Point 80 °C
Transport Information
Appearance Colorless oil
Safety 23-24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,3-Dioxolane-4-methanol,2,2-dimethyl-, (S)-;1,3-Dioxolane-4-methanol, 2,2-dimethyl-, L- (8CI);((4S)-2,2-Dimethyl-1,3-dioxolan-4-yl)methanol;(+)-1,2-O-Isopropylidene-sn-glycerol;(+)-2,2-Dimethyl-1,3-dioxolane-4-methanol;(+)-Glycerol acetonide;(+)-Solketal;(+)-a,b-Isopropylideneglycerol;(2S)-Glycerol 1,2-acetonide;(4S)-2,2-Dimethyl-1,3-dioxolan-4-ylmethanol;(S)-(+)-(2,2-Dimethyl-[1,3]dioxolan-4-yl)methanol;(S)-(+)-1,2-Isopropylideneglycerol;(S)-(+)-2,2-Dimethyl-1,3-dioxolan-4-methanol;(S)-1,2-Isopropylideneglycerol;(S)-1,2-O-Isopropylideneglycerol;(S)-2,2-Dimethyl-1,3-dioxolan-4-methanol;(S)-Isopropylideneglycerol;(S)-Solketal;1,2-O-Isopropylidene-(S)-glycerol;2,3-O-Isopropylidene-D-glycerol;S-Glycerol acetonide;
PSA 38.69000
LogP 0.13020

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

The IUPAC name of (S)-(+)-2,2-Dimethyl-1,3-dioxolane-4-methanol is (2,2-dimethyl-1,3-dioxolan-4-yl)methanol. With the CAS registry number 22323-82-6, it is also named as 1,3-dioxolane-4-methanol, 2,2-dimethyl-. The product's categories are pharmacetical; chiral reagent; chiral building blocks; dioxanes & dioxolanes; glycidyl compounds, etc. (chiral); synthetic organic chemistry; heterocycles; miscellaneous. It is colorless oil which is stable, flammable and incompatible with oxidizing agents. In addition, people should not breathe vapour and avoid contact with skin and eyes.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 0.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.04; (4)ACD/LogD (pH 7.4): 0.04; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 25.04; (8)ACD/KOC (pH 7.4): 25.04; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.424; (13)Molar Refractivity: 32.596 cm³; (14)Molar Volume: 127.788 cm³; (15)Polarizability: 12.922×10^-24 cm³; (16)Surface Tension: 36.207 dyne/cm; (17)Enthalpy of Vaporization: 49.429 kJ/mol; (18)Vapour Pressure: 0.164 mmHg at 25°C; (19)Rotatable Bond Count: 1; (20)Exact Mass: 132.078644; (21)MonoIsotopic Mass: 132.078644; (22)Topological Polar Surface Area: 38.7; (23)Heavy Atom Count: 9; (24)Complexity: 101.

Uses of (S)-(+)-2,2-Dimethyl-1,3-dioxolane-4-methanol: It is a MEK inhibitor with antitumor activity. And it is also used as glycerol phosphorylcholine intermediate. Inaddition, it can be used as pharmaceutical intermediates to synthetize drugs such as L-hydroxy benzene piperidine, propranolol, strontium ranelate, chiral crown ether.

People can use the following data to convert to the molecule structure.
1. SMILES: CC1(OCC(O1)CO)C;
2. InChI: InChI=1/C6H12O3/c1-6(2)8-4-5(3-7)9-6/h5,7H,3-4H2,1-2H3.

Product Name

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

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

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