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2-[(4S)-2,2-Dimethyl-5-oxo-1,3-dioxolan-4-yl]acetate

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Name

2-[(4S)-2,2-Dimethyl-5-oxo-1,3-dioxolan-4-yl]acetate

EINECS N/A
CAS No. 73991-95-4 Density 1.262 g/cm3
PSA 72.83000 LogP 0.13920
Solubility N/A Melting Point 105-112 °C(lit.)
Formula C7H10O5 Boiling Point 341.4 °C at 760 mmHg
Molecular Weight 174.153 Flash Point 143.7 °C
Transport Information N/A Appearance White solid
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 73991-95-4 (2-[(4S)-2,2-DIMETHYL-5-OXO-1,3-DIOXOLAN-4-YL]ACETIC ACID) Hazard Symbols IrritantXi
Synonyms

(S)-2,2-Dimethyl-5-oxo-1,3-dioxolane-4-acetic acid;1,3-dioxolane-4-acetic acid, 2,2-dimethyl-5-oxo-, (4S)-;[(4S)-2,2-Dimethyl-5-oxo-1,3-dioxolan-4-yl]acetic acid;(S)-[2,2-Dimethyl-5-oxodioxolan-4-yl]acetic acid;

Article Data 43

2-[(4S)-2,2-Dimethyl-5-oxo-1,3-dioxolan-4-yl]acetate Specification

The 2-[(4S)-2,2-Dimethyl-5-oxo-1,3-dioxolan-4-yl]acetate, with the CAS registry number 73991-95-4, is also known as (S)-2,2-Dimethyl-5-oxo-1,3-dioxolane-4-acetic acid. It belongs to the product categories of Chiral Reagents; Heterocycles. This chemical's molecular formula is C7H10O5 and molecular weight is 174.15. What's more, its systematic name is [(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetic acid.

Physical properties of 2-[(4S)-2,2-Dimethyl-5-oxo-1,3-dioxolan-4-yl]acetate are: (1)ACD/LogP: -0.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.38; (4)ACD/LogD (pH 7.4): -4.1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 61.83 Å2; (13)Index of Refraction: 1.454; (14)Molar Refractivity: 37.38 cm3; (15)Molar Volume: 137.9 cm3; (16)Polarizability: 14.82×10-24 cm3; (17)Surface Tension: 38.2 dyne/cm; (18)Density: 1.262 g/cm3; (19)Flash Point: 143.7 °C; (20)Enthalpy of Vaporization: 64.29 kJ/mol; (21)Boiling Point: 341.4 °C at 760 mmHg; (22)Vapour Pressure: 1.47E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: O=C1OC(O[C@H]1CC(=O)O)(C)C
(2)InChI: InChI=1/C7H10O5/c1-7(2)11-4(3-5(8)9)6(10)12-7/h4H,3H2,1-2H3,(H,8,9)/t4-/m0/s1
(3)InChIKey: IDQOCLIWDMZKBZ-BYPYZUCNBG

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