xanthenol
Structural formula
| Business number | 022E |
|---|---|
| Molecular formula | C13H10O2 |
| Molecular weight | 198.22 |
| label |
9-hydroxyxanthene, Xanthene hydroalcohol, 9-Hydroxyxanthene, 9-Xanthenol |
Numbering system
CAS number:90-46-0
MDL number:MFCD00005057
EINECS number:201-996-1
RTECS number:ZD5710000
BRN number:10395
PubChem number:24890172
Physical property data
None
Toxicological data
Acute toxicity:
Oral LDLo 500 mg/kg (rat)
Main irritant effects:
On skin: May cause inflammation.
On eyes: May cause irritation.
Sensitization: No known sensitizing effects.
Ecological data
General remarks
Water hazard class 1 (German Regulation) (self-assessment via list) The substance is slightly hazardous to water.
Do not allow undiluted or large amounts of product to come into contact with groundwater, waterways or sewage systems.
Do not discharge materials into the surrounding environment without government permission.
Molecular structure data
1. Molar refractive index 56.99
2. Molar volume (cm3/mol): 154.1
3. Isotonic specific volume (90.2K) : 418.1
4. Surface tension (dyne/cm): 54.1
5. Polarizability (10-24cm3): 22.59
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: none
6. Topological molecule polar surface area 29.5
7. Number of heavy atoms: 15
8. Surface charge: 0
9. Complexity: 207
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
None
Storage method
None
Synthesis method
None
Purpose
None
