2-Heptanone,3-(hydroxymethyl)- supplier

Name
3-(hydroxymethyl)heptan-2-one
EINECS 265-739-5
CAS No. 65405-68-7
Density 0.926 g/cm³
Solubility
Melting Point 10.61oC
Formula C₈H₁₆O₂
Boiling Point 226.3 °C at 760 mmHg
Molecular Weight 144.214
Flash Point 91.4 °C
Transport Information
Appearance colorless clear liquid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Butyl-4-hydroxy-2-butanone;3-Hydroxymethyl-2-heptanone;Octan-3-one-1-ol;3-(hydroxymethyl)heptan-2-one;
PSA 37.30000
LogP 1.37410

2-Heptanone,3-(hydroxymethyl)- Specification

The CAS register number of 2-Heptanone,3-(hydroxymethyl)- is 65405-68-7. It also can be called as 3-Butyl-4-hydroxy-2-butanone and the IUPAC name about this chemical is 3-(hydroxymethyl)heptan-2-one. The molecular formula about this chemical is C₈H₁₆O₂ and the molecular weight is 144.21144. It belongs to the following product category which includes ketone Flavor.

Physical properties about 2-Heptanone,3-(hydroxymethyl)- are: (1)ACD/LogP: 1.16; (2)#H bond acceptors: 2; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 6; (5)Polar Surface Area: 26.3 Å²; (6)Index of Refraction: 1.435; (7)Molar Refractivity: 40.63 cm³; (8)Molar Volume: 155.5 cm³; (9)Polarizability: 16.1x10^-24cm³; (10)Surface Tension: 31.8 dyne/cm; (11)Density: 0.926 g/cm³; (12)Flash Point: 91.4 °C; (13)Enthalpy of Vaporization: 53.82 kJ/mol; (14)Boiling Point: 226.3 °C at 760 mmHg; (15)Vapour Pressure: 0.0163 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(C(CCCC)CO)C
(2)InChI: InChI=1/C8H16O2/c1-3-4-5-8(6-9)7(2)10/h8-9H,3-6H2,1-2H3
(3)InChIKey: MHOXVRWQBOAOAU-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C8H16O2/c1-3-4-5-8(6-9)7(2)10/h8-9H,3-6H2,1-2H3
(5)Std. InChIKey: MHOXVRWQBOAOAU-UHFFFAOYSA-N

Product Name

3-(hydroxymethyl)heptan-2-one

2-Heptanone,3-(hydroxymethyl)- Specification

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