4-Oxazolemethanol,4,5-dihydro-2,4-dimethyl- supplier

Name
2,4-DIMETHYL-4-HYDROXYMETHYL-2-OXAZOLINE
EINECS 254-734-3
CAS No. 39986-37-3
Article Data2
CAS DataBase
Density 1.14 g/cm³
Solubility
Melting Point 30-31℃
Formula C₆H₁₁NO₂
Boiling Point 189 °C at 760 mmHg
Molecular Weight 129.159
Flash Point 68.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Oxazoline-4-methanol,2,4-dimethyl- (6CI);(2,4-Dimethyl-4,5-dihydrooxazol-4-yl)methanol;2,4-Dimethyl-2-oxazoline-4-methanol;2,4-Dimethyl-4-hydroxymethyl-2-oxazoline;NSC 74297;
PSA 41.82000
LogP -0.37840

4-Oxazolemethanol,4,5-dihydro-2,4-dimethyl- Specification

The 4-Oxazolemethanol,4,5-dihydro-2,4-dimethyl-, with the CAS registry number 39986-37-3, is also known as 4,5-Dihydro-2,4-dimethyl-4-oxazolemethanol. Its molecular formula is C₆H₁₁NO₂and its molecular weight is 129.16. Additionally, the IUPAC name of this chemical is (2,4-dimethyl-5H-1,3-oxazol-4-yl)methanol.

Other characteristics of the 4-Oxazolemethanol,4,5-dihydro-2,4-dimethyl- can be summarised as followings: (1)ACD/LogP: -1.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.22; (4)ACD/LogD (pH 7.4): -1.06; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.4; (8)ACD/KOC (pH 7.4): 6.29; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 30.82 Å²; (13)Index of Refraction: 1.5; (14)Molar Refractivity: 33.1 cm³; (15)Molar Volume: 112.4 cm³; (16)Polarizability: 13.12×10^-24cm³; (17)Surface Tension: 36 dyne/cm; (18)Density: 1.14 g/cm³; (19)Flash Point: 68.1 °C; (20)Enthalpy of Vaporization: 49.49 kJ/mol; (21)Boiling Point: 189 °C at 760 mmHg; (22)Vapour Pressure: 0.16 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: OCC1(/N=C(\OC1)C)C
2.InChI: InChI=1/C6H11NO2/c1-5-7-6(2,3-8)4-9-5/h8H,3-4H2,1-2H3
3.InChIKey: YWLSGHOSSUXBJK-UHFFFAOYAA

Product Name

2,4-DIMETHYL-4-HYDROXYMETHYL-2-OXAZOLINE

4-Oxazolemethanol,4,5-dihydro-2,4-dimethyl- Specification

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