Structural formula
Business number | 02LX |
---|---|
Molecular formula | C8H8O3 |
Molecular weight | 152.15 |
label |
Resorcinol monoacetate, (3-Hydroxyphenyl)acetate, Resorcinol monoacetate, Acetic acid 3-hydroxy-phenylseter, 1,3-Benzendiolmonoacetate |
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 (n20D): 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