Structural formula
| Business number | 0708 |
|---|---|
| Molecular formula | C7H10O2 |
| Molecular weight | 126.15 |
| label |
cyclohexenecarboxylic acid, Cyclohexene-1-carboxylic acid, 1-Cyclohexene-1-carboxylic acid, carboxylic acids, acidic solvent |
Numbering system
CAS number:636-82-8
MDL number:MFCD00001545
EINECS number:000-000-0
RTECS number:None
BRN number:1905520
PubChem number:24859731
Physical property data
1. Properties: colorless and transparent liquid.
2. Density (g/mL, 25/4℃): 1.1089
3. Relative density (20℃, 4℃): 1.0865d
4. Melting point (ºC): 36~38
5. Boiling point (ºC, normal pressure): 240~243
6. Boiling point (ºC, normal pressure) 5.2kPa): Undetermined
7. Refractive index (n20D): 1.4902
8. Flash point (ºC): >110
9. Specific rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined Determined
11. Vapor pressure (kPa, 25ºC): Undetermined
12. Saturated vapor pressure (kPa, 60ºC): Undetermined
13. Combustion Heat (KJ/mol): Undetermined
14. Critical temperature (ºC): Undetermined
15. Critical pressure (KPa): Undetermined
16. Log value of oil-water (octanol/water) partition coefficient: Undetermined
17. Explosion upper limit (%, V/V): Undetermined
18. Explosion lower limit ( %, V/V): Not determined
19. Solubility: Not determined.
Toxicological data
None
Ecological data
Do not allow undiluted or large quantities of products that are slightly hazardous to water 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: 33.37
2. Molar volume (cm3/mol): 109.9
3. Isotonic specific volume (90.2K ): 286.8
4. Surface tension (dyne/cm): 46.2
5. Polarizability (10-24cm3): 13.23
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 1.7
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 1
5. Interaction�Number of isomers: None
6. Topological molecule polar surface area 37.3
7. Number of heavy atoms: 9
8. Surface charge: 0
9. Complexity: 147
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. The number of uncertain stereocenters of atoms: 0
13. The number of determined stereocenters of chemical bonds: 0
14. The number of uncertain stereocenters of chemical bonds: 0
15. Number of covalent bond units: 1
Properties and stability
1. Keep away from oxides.
2. Exist in smoke.
Storage method
Store in an airtight container in a cool, dry place. Store away from oxidizing agents.
Synthesis method
None
Purpose
Pharmaceutical intermediates.
