2,5-Dimethyl-p-benzoquinone
Structural formula
| Business number | 03RD |
|---|---|
| Molecular formula | C8H8O2 |
| Molecular weight | 136.15 |
| label |
aromatic compounds |
Numbering system
CAS number:137-18-8
MDL number:MFCD00041737
EINECS number:205-283-6
RTECS number:DK4800000
BRN number:2041348
PubChem number:24864170
Physical property data
1. Melting point (ºC): 125
2. Solubility: slightly soluble in water and ethanol, soluble in ether and benzene.
Toxicological data
Acute toxicity data:
Rat oral LDLo: 500mg/kg
Mouse oral LD50: 290mg/kg
Mouse abdominal LD50 : 11mg/kg
Mouse subcutaneous LD50: 43mg/kg
Mutagenicity data:
Bacteria – Salmonella typhimurium: 40nmol/plate
Ecological data
None
Molecular structure data
Molecular property data:
1. Molar refractive index: 39.66
2. Molar volume (cm3/mol): 118.8
3. Isotonic specific volume (90.2K): 312.5
4. Surface tension (3.0 dyne/cm): 47.8
5. Polarizability (0.5 10-24cm3): 15.72
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: 6
6. Topological molecule polar surface area 34.1
7. Number of heavy atoms: 10
8. Surface charge: 0
9. Complexity: 228
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
1. Exist in smoke.
Storage method
None
Synthesis method
None
Purpose
None
