3-methyl-2-pentanone

3-methyl-2-pentanone structural formula

Structural formula

Business number 05T9
Molecular formula C6H12O
Molecular weight 100.16
label

Methyl-1-methylpropyl ketone,

Methyl-1-methylpropyl ketone,

sec-Butylmethyl ketone,

Pesticide research and development

Numbering system

CAS number:565-61-7

MDL number:MFCD00009336

EINECS number:209-282-1

RTECS number:None

BRN number:635791

PubChem number:24897107

Physical property data

1. Physical property data

1. Properties: colorless flammable liquid.

2. Relative density (d254) : 0.815

3. Refractive index (n sub>20D): 1.4002

4. Flash point (℃): 12

5. Boiling point (ºC) : 117.4(101kpa)

6. Melting point (ºC): -106

7. Relative density (20℃, 4℃): 0.8130

8. Refractive index at room temperature (n20): 1.4001

9. Refractive index at room temperature (n25): 1.3978

10. Gas phase standard combustion heat (enthalpy) (kJ·mol-1): -3791.92

11. Gas phase standard claimed heat (enthalpy) (kJ·mol-1 ):-284.09

Toxicological data

None yet

Ecological data

None yet

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 29.83

2. Molar volume (cm3/mol): 125.0

3. Isotonic specific volume (90.2K): 273.3

4. Surface tension (dyne/cm): 22.8

5. Polarizability (10-24cm3): 11.82

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 1.3

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: 3

6. Topological molecule polar surface area 17.1

7. Number of heavy atoms: 7

8. Surface charge: 0

9. Complexity: 66.6

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 1

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

1. Exist in smoke��中.

Storage method

2. Storage

Keep sealed in a cool place.

Synthesis method

None yet

Purpose

3. Use

Used in organic synthesis.

This article is from the Internet, does not represent the position of Toluene diisocyanate reproduced please specify the source.https://www.chemicalchem.com/archives/29427

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