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Cas Database |
| Name |
1,3-Dioxolane-4-carboxylicacid, 2,2-dimethyl-, methyl ester, (4S)- |
EINECS | N/A |
| CAS No. | 60456-21-5 | Density | 1.09g/cm3 |
| PSA | 44.76000 | LogP | 0.31090 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C7H12O4 | Boiling Point | 196.2 °C at 760 mmHg |
| Molecular Weight | 160.17 | Flash Point | 78.3 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 23-24/25 | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| 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; |
Article Data | 13 |
1,3-Dioxolane-4-carboxylicacid, 2,2-dimethyl-, methyl ester, (4S)- 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
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