CAS No.73991-95-4,2-[(4S)-2,2-DIMETHYL-5-OXO-1,3-DIOXOLAN-4-YL]ACETIC ACID Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	73991-95-4
Name:	2-[(4S)-2,2-DIMETHYL-5-OXO-1,3-DIOXOLAN-4-YL]ACETIC ACID
Article Data:	43

Formula:	C₇H₁₀O₅
Molecular Weight:	174.153
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;
Density:	1.262 g/cm³
Melting Point:	105-112 °C(lit.)
Boiling Point:	341.4 °C at 760 mmHg
Flash Point:	143.7 °C
Appearance:	White solid
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	72.83000
LogP:	0.13920

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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