1,3-Dioxolane-4-aceticacid, 2,2-dimethyl-, methyl ester, (4S)- supplier

Name
METHYL (4S)-(+)-2,2-DIMETHYL-1,3-DIOXOLANE-4-ACETATE
EINECS
CAS No. 95422-24-5
Article Data28
CAS DataBase
Density 1.044 g/cm³
Solubility
Melting Point
Formula C₈H₁₄O₄
Boiling Point 200 °C at 760 mmHg
Molecular Weight 174.197
Flash Point 76.1 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms 1,3-Dioxolane-4-aceticacid, 2,2-dimethyl-, methyl ester, (S)-;Methyl 2-((4S)-2,2-dimethyl-1,3-dioxolan-4-yl)acetate;
PSA 44.76000
LogP 0.70100

1,3-Dioxolane-4-aceticacid, 2,2-dimethyl-, methyl ester, (4S)- Specification

The 1,3-Dioxolane-4-aceticacid, 2,2-dimethyl-, methyl ester, (4S)-, with the CAS registry number 95422-24-5, is also known as (S)-2,2-Dimethyl-1,3-dioxolane-4-acetic acid methyl ester. It belongs to the product categories of Chiral Building Blocks; Esters; Organic Building Blocks. This chemical's molecular formula is C₈H₁₄O₄and molecular weight is 174.19. What's more, its systematic name is Methyl [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl] acetate. Besides, it must be stored in airtight containers and placed in a dry, cool place.

Physical properties about the 1,3-Dioxolane-4-aceticacid, 2,2-dimethyl-, methyl ester, (4S)- are: (1)ACD/LogP: 0.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.63; (4)ACD/LogD (pH 7.4): 0.63; (5)ACD/BCF (pH 5.5): 1.78; (6)ACD/BCF (pH 7.4): 1.78; (7)ACD/KOC (pH 5.5): 52.58; (8)ACD/KOC (pH 7.4): 52.58; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 44.76 Å²; (13)Index of Refraction: 1.418; (14)Molar Refractivity: 42.1 cm³; (15)Molar Volume: 166.7 cm³; (16)Polarizability: 16.69 ×10^-24cm³; (17)Surface Tension: 33.4 dyne/cm; (18)Density: 1.044 g/cm³; (19)Flash Point: 76.1 °C; (20)Enthalpy of Vaporization: 43.62 kJ/mol; (21)Boiling Point: 200 °C at 760 mmHg; (22)Vapour Pressure: 0.331 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC)C[C@@H]1OC(OC1)(C)C
(2) InChI: InChI=1/C8H14O4/c1-8(2)11-5-6(12-8)4-7(9)10-3/h6H,4-5H2,1-3H3/t6-/m0/s1
(3) InChIKey: AEMMCWMMNLSHFT-LURJTMIEBR

Product Name

METHYL (4S)-(+)-2,2-DIMETHYL-1,3-DIOXOLANE-4-ACETATE

1,3-Dioxolane-4-aceticacid, 2,2-dimethyl-, methyl ester, (4S)- Specification

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