Isopropyl salicylate

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: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

Resource:allhdi.com