Toluene diisocyanate manufacturer Knowledge 3-Hydroxy-3-methyl-2-butanone 3-Hydroxy-3-methyl-2-butanone

3-Hydroxy-3-methyl-2-butanone 3-Hydroxy-3-methyl-2-butanone

3-hydroxy-3-methyl-2-butanone structural formula

Structural formula

Business number 037S
Molecular formula C5H10O2
Molecular weight 102.13
label

2-Hydroxy-2-methyl-3-butanone,

aliphatic compounds

Numbering system

CAS number:115-22-0

MDL number:MFCD00004460

EINECS number:204-073-1

RTECS number:None

BRN number:1616385

PubChem number:24895606

Physical property data

1. Characteristics: Colorless liquid


2. Density (g/mL, 20): 0.96


3. Relative vapor density (g/mL,Air=1): Undetermined


4. Melting point (ºC): Undetermined


5. Boiling point (ºC,normal pressure):140-141


6. Boiling point (ºC,KPa)Undetermined


7. Refractive index n20/D):Undetermined


8. Flashpoint (ºC): 42


9. Specific optical rotation (ºC): Undetermined


10. Autoignition point or ignition temperature (ºC): Undetermined


11. Vapor pressure (mmHg,38ºC): Undetermined


12. Saturated vapor pressure (kPa, ºC): Undetermined


13. Heat of combustion (KJ/mol): Undetermined


14. Critical temperature (ºC): Undetermined


15. Critical pressure (KPa): Undetermined


16 . The logarithmic value of the oil-water (octanol/water) partition coefficient: Undetermined


17. Explosion limit (%,V/V): Undetermined


18. Lower explosion limit (%,V/V): Undetermined


19. Solubility: Undetermined

Toxicological data

None yet

Ecological data

Slightly harmful to water.

Molecular structure data

5. Molecular property data:


1. Molar refractive index: 26.74


2. Molar volume (m3/mol):105.7


3. isotonic specific volume (90.2K):247.9


4. Surface Tension (dyne/cm):30.2


5. Polarizability10-24cm3):10.60

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): -0.1

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 2

p>

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: 2

6. Topological molecule polar surface area 37.3

7. Number of heavy atoms: 7

8. Surface charge: 0

9. Complexity: 84.1

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

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

Avoid contact with oxidants, acids, reducing agents, and alkalis.

Storage method

Stored in a cool, ventilated warehouse. Keep away from fire, heat sources and anti-static. They should be stored separately from oxidants, acids, and reducing agents, and avoid mixed storage. Equipped with the appropriate variety and quantity of fire equipment. Reservoir
Suitable materials should be available to contain spills.

Synthesis method

None yet

Purpose

None yet

left; mso-list: l0 level2 lfo1; tab-stops: list 36.0pt; mso-margin-top-alt: auto; mso-margin-bottom-alt: auto” align=left>3. Isotonic specific volume (90.2K ): 247.9


4. Surface Tension (dyne/cm):30.2


5. Polarizability10-24cm3):10.60

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): -0.1

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 2

p>

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: 2

6. Topological molecule polar surface area 37.3

7. Number of heavy atoms: 7

8. Surface charge: 0

9. Complexity: 84.1

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

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

Avoid contact with oxidants, acids, reducing agents, and alkalis.

Storage method

Stored in a cool, ventilated warehouse. Keep away from fire, heat sources and anti-static. They should be stored separately from oxidants, acids, and reducing agents, and avoid mixed storage. Equipped with the appropriate variety and quantity of fire equipment. Reservoir
Suitable materials should be available to contain spills.

Synthesis method

None yet

Purpose

None yet

This article is from the Internet, does not represent the position of Toluene diisocyanate reproduced please specify the source.https://www.chemicalchem.com/archives/27096

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