Structural formula
| Business number | 069T |
|---|---|
| Molecular formula | C10H12O3 |
| Molecular weight | 180.20 |
| label |
1-Methylethyl-2-hydroxybenzoate, Isopropyl ortho-hydroxybenzoate, Isopropyl salicylate |
Numbering system
CAS number:607-85-2
MDL number:MFCD00035703
EINECS number:210-143-2
RTECS number:None
BRN number:None
PubChem ID:None
Physical property data
Physical property data: 1. Density 1.06
2. Boiling point 241°C (18 mmHg)
3. Refractive index 1.509-1.511
4. Relative density (20°C, 4 ℃): 1.0729
5. Relative density (25℃, 4℃): 1.0696
6. Refractive index at room temperature (n20): 1.5065
7. Refractive index at room temperature (n25): 1.5043
Toxicological data
Main irritant effects:
On skin: May cause inflammation.
In eyes: May cause irritation
Sensitization: No known sensitizing effects.
Ecological data
3. Ecological data:
General remarks
Water hazard level 1 (German regulations) (self-assessment through the list) This substance is slightly harmful 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
5. Molecular property data:
1. Molar refractive index: 49.13
2. Molar volume (cm3/mol): 159.1
3. Isotonic specific volume (90.2K): 404.0
4. Surface tension (dyne/cm): 41.5
5. Polarizability (10-24cm3): 19.47
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: 3
4. Number of rotatable chemical bonds: 3
5. Number of tautomers: 4
6. Topological molecule polar surface area 46.5
7. Number of heavy atoms: 13
8. Surface charge: 0
9. Complexity: 177
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
Properties and stability:
The product may not decompose under normal temperature and pressure.
Storage method
Storage:
Seal the container and store it in a sealed main container in a cool, dry place.
Synthesis method
None yet
Purpose
None yet
