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CAS No.: | 5077-67-8 |
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Name: | 1-HYDROXY-2-BUTANONE |
Article Data: | 69 |
Molecular Structure: | |
Formula: | C4H8O2 |
Molecular Weight: | 88.1063 |
Synonyms: | 1-Hydroxy-2-butanone;2-Oxobutan-1-ol;2-Oxobutanol; |
EINECS: | 225-790-6 |
Density: | 0.987 g/cm3 |
Melting Point: | 15°C (estimate) |
Boiling Point: | 160 °C at 760 mmHg |
Flash Point: | 60 °C |
Transport Information: | UN 1993 |
PSA: | 37.30000 |
LogP: | -0.04220 |
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This chemical is called 2-Butanone, 1-hydroxy-, and its systematic name is 1-Hydroxy-2-butanone. With the molecular formula of C4H8O2, its molecular weight is 88.11. The CAS registry number of this chemical is 5077-67-8.
Other characteristics of the 2-Butanone, 1-hydroxy- can be summarised as followings: (1)ACD/LogP: -0.25 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): -0.25 ; (4)ACD/LogD (pH 7.4): -0.25 ; (5)ACD/BCF (pH 5.5): 1 ; (6)ACD/BCF (pH 7.4): 1 ; (7)ACD/KOC (pH 5.5): 17.45 ; (8)ACD/KOC (pH 7.4): 17.45 ; (9)#H bond acceptors: 2 ; (10)#H bond donors: 1 ; (11)#Freely Rotating Bonds: 3 ; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.411 ; (14)Molar Refractivity: 22.14 cm3; (15)Molar Volume: 89.1 cm3; (16)Polarizability: 8.77×10-24cm3 ; (17)Surface Tension: 32.5 dyne/cm ; (18)Density: 0.987 g/cm3; (19)Flash Point: 60 °C ; (20)Enthalpy of Vaporization: 46.19 kJ/mol ; (21)Boiling Point: 160 °C at 760 mmHg ; (22)Vapour Pressure: 0.854 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(CC)CO
2.InChI: InChI=1/C4H8O2/c1-2-4(6)3-5/h5H,2-3H2,1H3
3.InChIKey: GFAZHVHNLUBROE-UHFFFAOYAK