2-Butanone, 1-hydroxy- supplier

Name
1-HYDROXY-2-BUTANONE
EINECS 225-790-6
CAS No. 5077-67-8
Article Data69
CAS DataBase
Density 0.987 g/cm³
Solubility
Melting Point 15°C (estimate)
Formula C₄H₈O₂
Boiling Point 160 °C at 760 mmHg
Molecular Weight 88.1063
Flash Point 60 °C
Transport Information UN 1993
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Hydroxy-2-butanone;2-Oxobutan-1-ol;2-Oxobutanol;
PSA 37.30000
LogP -0.04220

2-Butanone, 1-hydroxy- Specification

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

Product Name

1-HYDROXY-2-BUTANONE

2-Butanone, 1-hydroxy- Specification

Related Products

Hot Products