1,3-Benzenediol monoacetate m-Hydroxyphenyl Acetate

Structural formula

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

Numbering system

CAS number:102-29-4

MDL number:MFCD00002266

EINECS number:203-022-0

RTECS number:VH2750000

BRN number:1865490

PubChem number:24899408

Physical property data

1. Properties: yellow viscous liquid.

2. Density (g/mL, 25℃): 1.223

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

4. Melting point (ºC): 55~56

5. Boiling point (ºC, normal pressure): 283 (decomposition)

6. Boiling point (ºC, kPa): Undetermined

7. Refractive index _(n²⁰_D): 1.537

8. Flash point (ºC): >112

9. Specific rotation (º): Undetermined

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

11. Vapor pressure (mmHg, 25ºC): Undetermined

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

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

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Oil and water (octanol /water) logarithmic value of the distribution coefficient: Undetermined

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

18. Explosion lower limit (%, V/V) : Undetermined

19. Solubility: Insoluble in water, easily soluble in ethanol, benzene, chloroform, acetone, and also soluble in alkaline solutions.

Toxicological data

1. Skin/eye irritation: Standard Dresser test: rabbit eye contact, 5%REACTION SEVERITY, strong reaction; 2. Acute toxicity: mouse peritoneal cavity LD50: 400mg/kg;

Ecological data

This substance may be harmful to the environment and it is recommended not to let it enter the environment.

Molecular structure data

1. Molar refractive index: 39.47

2. Molar volume (cm³/mol): 125.4

3. Isotonic specific volume (90.2K ): 323.8

4. Surface tension (dyne/cm): 44.3

5. Dielectric constant:

6. Dipole moment (10^-24cm³):

7. Polarizability: 15.64

Compute chemical data

1. Reference values ​​for calculation of hydrophobic parameters��XlogP): None

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds :2

5. Number of tautomers: 3

6. Topological molecule polar surface area 46.5

7. Number of heavy atoms: 11

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8. Surface charge: 0

9. Complexity: 144

10. Number of isotope atoms: 0

11. Determine the atomic position Number of stereocenters: 0

12. Uncertain number of stereocenters of atoms: 0

13. Determined number of stereocenters of chemical bonds: 0

14. No Determine the number of stereocenters of chemical bonds: 0

15. The number of covalent bond units: 1

Properties and stability

1. Avoid contact with oxidants, acids, acid anhydrides, and alkalis.

2. Exist in mainstream smoke.

Storage method

None yet

Synthesis method

1. Prepared by the reaction of resorcinol and acetic anhydride.

Purpose

None yet