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2-Hexanone,5-hydroxy-

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Name

2-Hexanone,5-hydroxy-

EINECS N/A
CAS No. 56745-61-0 Density 0.948 g/cm3
PSA 37.30000 LogP 0.73640
Solubility N/A Melting Point -3.75°C (estimate)
Formula C6H12O2 Boiling Point 205.766 °C at 760 mmHg
Molecular Weight 116.16 Flash Point 81.152 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 56745-61-0 (2-Hexanone, 5-hydroxy- (6CI,9CI)) Hazard Symbols N/A
Synonyms

5-Hydroxyhexan-2-one;

Article Data 8

2-Hexanone,5-hydroxy- Specification

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

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