3-Hexanone,2,5-dimethyl- supplier

Name
2,5-DIMETHYL-3-HEXANONE
EINECS
CAS No. 1888-57-9
Article Data5
CAS DataBase
Density 0.809 g/cm³
Solubility
Melting Point -32.24°C (estimate)
Formula C₈H₁₆O
Boiling Point 149.6 °C at 760 mmHg
Molecular Weight 128.214
Flash Point 34.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,5-Dimethyl-3-hexanone;Isobutyl isopropyl ketone;2,5-Dimethylhexan-3-one;
PSA 17.07000
LogP 2.25760

3-Hexanone,2,5-dimethyl- Specification

The 3-Hexanone,2,5-dimethyl-, with the CAS registry number 1888-57-9, is also known as 2,5-Dimethyl-3-hexanone. This chemical's molecular formula is C₈H₁₆O and molecular weight is 128.21. What's more, its IUPAC name is 2,5-Dimethylhexan-3-one. Complied with the regulations of use and storage, it does not decompose. There is no known dangerous reactions. It should be sealed and stored in a cool and dry place and be protected from oxidizes. When using it, you need ensure that the workplace has good ventilation or exhaust.

Physical properties of 3-Hexanone,2,5-dimethyl- are: (1)ACD/LogP: 2.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.13; (4)ACD/LogD (pH 7.4): 2.13; (5)ACD/BCF (pH 5.5): 24.54; (6)ACD/BCF (pH 7.4): 24.54; (7)ACD/KOC (pH 5.5): 343.99; (8)ACD/KOC (pH 7.4): 343.99; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.407; (14)Molar Refractivity: 39.05 cm³; (15)Molar Volume: 158.4 cm³; (16)Polarizability: 15.48×10^-24 cm³; (17)Surface Tension: 23.8 dyne/cm; (18)Density: 0.809 g/cm³; (19)Flash Point: 34.2 °C; (20)Enthalpy of Vaporization: 38.65 kJ/mol; (21)Boiling Point: 149.6 °C at 760 mmHg; (22)Vapour Pressure: 3.99 mmHg at 25 °C.

Preparation: this chemical can be prepared by 2,5-dimethyl-hexan-3-ol. This reaction will need reagent chromic acid mixture.

3-Hexanone,2,5-dimethyl- can be prepared by 2,5-dimethyl-hexan-3-ol.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)CC(=O)C(C)C
(2)InChI: InChI=1S/C8H16O/c1-6(2)5-8(9)7(3)4/h6-7H,5H2,1-4H3
(3)InChIKey: TUIWMHDSXJWXOH-UHFFFAOYSA-N

Product Name

2,5-DIMETHYL-3-HEXANONE

3-Hexanone,2,5-dimethyl- Specification

Related Products

Hot Products