CAS No.22323-82-6,(S)-(+)-2,2-Dimethyl-1,3-dioxolane-4-methanol Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	22323-82-6
Name:	(S)-(+)-2,2-Dimethyl-1,3-dioxolane-4-methanol
Article Data:	85

Formula:	C₆H₁₂O₃
Molecular Weight:	132.159
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;
EINECS:	244-910-8
Density:	1.034 g/cm³
Boiling Point:	188.5 °C at 760 mmHg
Flash Point:	80 °C
Solubility:	miscible in water
Appearance:	Colorless oil
Safety:	23-24/25
PSA:	38.69000
LogP:	0.13020

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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.