Structural formula
| Business number | 029M |
|---|---|
| Molecular formula | C7H8O2 |
| Molecular weight | 124.14 |
| label |
2-methylhydroquinone, 2-Methylhydroquinone, Methylhydroquinone, 2,5-Dihydroxytoluene, Methylhydroquinone, Methylhydroquinone, 2,5-Dihydroxytoluene, Methyl-p-hydroquinone, Toluhydroquinone |
Numbering system
CAS number:95-71-6
MDL number:MFCD00002345
EINECS number:202-443-7
RTECS number:MX6700000
BRN number:2041489
PubChem number:24854448
Physical property data
1. Properties: white crystalline powder.
2. Density (g/mL, 20℃): Undetermined
3. Relative vapor density (g/mL, air=1): Undetermined
4. Melting point (oC): 126~128
5. Boiling point (oC, normal pressure): 283, 163oC (1466pa)
6. Boiling point (oC, kPa) : Undetermined
7. Refractive index: Undetermined
8. Flash point (oC): 172
9. Specific rotation (o): Undetermined Determined
10. Autoignition point or ignition temperature (oC): Undetermined
11. Vapor pressure (mmHg, oC): 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. Log value of oil-water (octanol/water) partition coefficient: Undetermined
17. Explosion upper limit ( %, V/V): Undetermined
18. Lower explosion limit (%, V/V): Undetermined
19. Solubility: Undetermined
Toxicological data
1. Acute toxicity: rat oral LDLo: 200mg/kg; rat intraperitoneal LDLo: 200mg/kg; mouse oral LD50: >400mg/kg; guinea pig skin contact LD50: >1mg/kg;
Ecological data
This substance is slightly hazardous to water.
Molecular structure data
1. Molar refractive index: 34.84
2. Molar volume (cm3/mol): 102.5
3. Isotonic specific volume (90.2K ): 274.9
4. Surface tension (dyne/cm): 51.6
5. Polarizability (10-24cm3): 13.81
Compute chemical data
1. Hydrophobic parameter calculation reference value (XlogP): None
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: 13
6. Topological molecule polar surface area 40.5
7. Number of heavy atoms: 9
8. Surface charge: 0
9. Complexity: 92.9
10. Number of isotope atoms: 0
11. Determine the atomic configuration Number of centers: 0
12. Uncertain number of atomic stereocenters: 0
13. Determined number of chemical bond stereocenters: 0
14. Uncertain Number of stereocenters of chemical bonds: 0
15. Number of covalent bond units: 1
Properties and stability
1. Avoid contact with strong oxidants.
2. Exist in smoke.
3. Toxic!
Storage method
Store in a cool, ventilated warehouse. Keep away from fire and heat sources. should be kept away from oxidizer, do not store together. Equipped with the appropriate variety and quantity of fire equipment. The storage area should be equipped with emergency release equipment and suitable containment materials.
Synthesis method
None yet
Purpose
Mainly used in pigments, dyes, and pharmaceutical intermediates.
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