2-Hexanone,5-hydroxy- supplier

Name
2-Hexanone, 5-hydroxy- (6CI,9CI)
EINECS
CAS No. 56745-61-0
Article Data8
CAS DataBase
Density 0.948 g/cm³
Solubility
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
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Hydroxyhexan-2-one;
PSA 37.30000
LogP 0.73640

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

Product Name

2-Hexanone, 5-hydroxy- (6CI,9CI)

2-Hexanone,5-hydroxy- Specification

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