2-Oxazolidinone,4,4-dimethyl- supplier

Name
4,4-DIMETHYL-2-OXAZOLIDINONE
EINECS
CAS No. 26654-39-7
Article Data48
CAS DataBase
Density 1.039 g/cm³
Solubility
Melting Point 55-56 °C(Solv: ethanol (64-17-5); ligroine (8032-32-4))
Formula C₅H₉NO₂
Boiling Point 272.2 °C at 760 mmHg
Molecular Weight 115.132
Flash Point 118.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4,4-Dimethyl-1,3-oxazolidin-2-one;4,4-Dimethyl-2-oxazolidinone;NSC 48911;4,4-dimethyl-1,3-oxazolidin-2-one;2-oxazolidinone, 4,4-dimethyl-;
PSA 38.33000
LogP 0.83360

2-Oxazolidinone,4,4-dimethyl- Specification

The 2-Oxazolidinone,4,4-dimethyl-, with the CAS registry number 26654-39-7, has the systamtic name of 4,4-dimethyl-1,3-oxazolidin-2-one. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₅H₉NO₂.

The characteristics of 2-Oxazolidinone,4,4-dimethyl- are as followings: (1)ACD/LogP: 0.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.7; (4)ACD/LogD (pH 7.4): 0.7; (5)ACD/BCF (pH 5.5): 2.02; (6)ACD/BCF (pH 7.4): 2.02; (7)ACD/KOC (pH 5.5): 57.61; (8)ACD/KOC (pH 7.4): 57.61; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.423; (14)Molar Refractivity: 28.24 cm³; (15)Molar Volume: 110.7 cm³; (16)Polarizability: 11.19×10^-24cm³; (17)Surface Tension: 26.2 dyne/cm; (18)Density: 1.039 g/cm³; (19)Flash Point: 118.4 °C; (20)Enthalpy of Vaporization: 51.05 kJ/mol; (21)Boiling Point: 272.2 °C at 760 mmHg; (22)Vapour Pressure: 0.00617 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C1OCC(N1)(C)C
(2)InChI: InChI=1/C5H9NO2/c1-5(2)3-8-4(7)6-5/h3H2,1-2H3,(H,6,7)
(3)InChIKey: SYARCRAQWWGZKY-UHFFFAOYAI

Product Name

4,4-DIMETHYL-2-OXAZOLIDINONE

2-Oxazolidinone,4,4-dimethyl- Specification

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