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CAS No.: | 56745-61-0 |
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Name: | 2-Hexanone, 5-hydroxy- (6CI,9CI) |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C6H12O2 |
Molecular Weight: | 116.16 |
Synonyms: | 5-Hydroxyhexan-2-one; |
Density: | 0.948 g/cm3 |
Melting Point: | -3.75°C (estimate) |
Boiling Point: | 205.766 °C at 760 mmHg |
Flash Point: | 81.152 °C |
PSA: | 37.30000 |
LogP: | 0.73640 |
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The 2-Hexanone,5-hydroxy-, with the CAS registry number 56745-61-0, is also known as 5-Hydroxyhexan-2-one. It belongs to the product categories of Acetyl group. This chemical's molecular formula is C6H12O2 and molecular weight is 116.16. What's more, both its IUPAC name and systematic name are the same which is called 5-Hydroxy-2-hexanone.
Physical properties about 2-Hexanone,5-hydroxy- are: (1)ACD/LogP: -0.237; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.24; (4)ACD/LogD (pH 7.4): -0.24; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 17.69; (8)ACD/KOC (pH 7.4): 17.69; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 37.3 Å2; (13)Index of Refraction: 1.425; (14)Molar Refractivity: 31.369 cm3; (15)Molar Volume: 122.578 cm3; (16)Polarizability: 12.436×10-24cm3; (17)Surface Tension: 31.346 dyne/cm; (18)Density: 0.948 g/cm3; (19)Flash Point: 81.152 °C; (20)Enthalpy of Vaporization: 51.419 kJ/mol; (21)Boiling Point: 205.766 °C at 760 mmHg; (22)Vapour Pressure: 0.058 mmHg at 25 °C
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(C)CCC(O)C
(2) InChI: InChI=1S/C6H12O2/c1-5(7)3-4-6(2)8/h5,7H,3-4H2,1-2H3
(3) InChIKey: ZSDLLTJVENEIDW-UHFFFAOYSA-N