xanthenol

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: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