CAS No.60456-21-5,ALPHA,BETA-ISOPROPYLIDENE-L-GLYCERIC ACID METHYL ESTER Suppliers

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Basic Information

Molecular Structure:
CAS No.:	60456-21-5
Name:	ALPHA,BETA-ISOPROPYLIDENE-L-GLYCERIC ACID METHYL ESTER
Article Data:	13

Formula:	C₇H₁₂O₄
Molecular Weight:	160.17
Synonyms:	1,3-Dioxolane-4-carboxylicacid, 2,2-dimethyl-, methyl ester, (S)-;(S)-2,2-Dimethyl-[1,3]dioxolane-4-carboxylicacid methyl ester;2,2-Dimethyl-(4S)-1,3-dioxolane-4-carboxylic acid methylester;4(S)-Methyl 2,2-dimethyl-1,3-dioxolane-4-carboxylate;Methyl(4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylate;Methyl(S)-2,2-dimethyl-1,3-dioxolane-4-carboxylate;Methyl (S)-glycerate acetonide;
Density:	1.09g/cm³
Boiling Point:	196.2 °C at 760 mmHg
Flash Point:	78.3 °C
Safety:	23-24/25
PSA:	44.76000
LogP:	0.31090

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Specification

The 1,3-Dioxolane-4-carboxylicacid, 2,2-dimethyl-, methyl ester, (4S)-, with CAS registry number 60456-21-5, belongs to the following product category: Pharmacetical. It has the systematic name of methyl (4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylate. This chemical should be stored at the temperature of 2-8°C. When use this chemical, do not breathe vapour and avoid contact with skin and eyes.

Physical properties of 1,3-Dioxolane-4-carboxylicacid, 2,2-dimethyl-, methyl ester, (4S)-: (1)ACD/LogP: 0.61; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 44.76 Å²; (7)Index of Refraction: 1.422; (8)Molar Refractivity: 37.31 cm³; (9)Molar Volume: 146.8 cm³; (10)Polarizability: 14.79×10^-24cm³; (11)Surface Tension: 29.1 dyne/cm; (12)Density: 1.09 g/cm³; (13)Flash Point: 78.3 °C; (14)Enthalpy of Vaporization: 43.23 kJ/mol; (15)Boiling Point: 196.2 °C at 760 mmHg; (16)Vapour Pressure: 0.404 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)[C@H]1OC(OC1)(C)C
(2)InChI: InChI=1/C7H12O4/c1-7(2)10-4-5(11-7)6(8)9-3/h5H,4H2,1-3H3/t5-/m0/s1
(3)InChIKey: DOWWCCDWPKGNGX-YFKPBYRVBC
(4)Std. InChI: InChI=1S/C7H12O4/c1-7(2)10-4-5(11-7)6(8)9-3/h5H,4H2,1-3H3/t5-/m0/s1
(5)Std. InChIKey: DOWWCCDWPKGNGX-YFKPBYRVSA-N