Tetrahydropyran-2-methanol Tetrahydropyran-2-methanol
Structural formula
| Business number | 02JL |
|---|---|
| Molecular formula | C6H12O2 |
| Molecular weight | 116.16 |
| label |
2-(Hydroxymethyl)tetrahydropyran, 2h-Pyran-2-Methanol, Tetrahydro-, 2-Hydroxymethyltetrahydropyrane, 2-Methanol, Tetrahydropyran, 2-Methanoltetrahydropyran, 2-Methyloltetrahydro-1,4-Pyran, 2-Tetrahydropyranilcarbinol, Pyran-2-Methanol, Tetrahydro-, Tetrahydro-2h-Pyran-2-Methano |
Numbering system
CAS number:100-72-1
MDL number:None
EINECS number:202-882-4
RTECS number:None
BRN number:None
PubChem ID:None
Physical property data
1. Properties: Undetermined
2. Density (g/mL, 20℃): 1.027
3. Relative vapor density (g/mL, air=1) :4.02
4. Melting point (ºC): <-70
5. Boiling point (ºC, normal pressure): 187
6. Boiling point (ºC, kPa): Undetermined
7. Refractive index: 1.458
8. Flash point (ºC): 93
9. Specific rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (mmHg, 20ºC): 0.4
12. Saturated vapor pressure (kPa, ºC): Undetermined
13. Heat of combustion (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. Lower explosion limit (%, V/V): Undetermined
19. Solubility: Undetermined
Toxicological data
1. Skin/eye irritation: Start irritation test: rabbit skin contact, 515mgREACTION SEVERITY, mild reaction; Standard Dresser test: rabbit skin contact, 500mgREACTION SEVERITY, strong reaction; Standard Dresser test: rabbit eye contact, 16450 μgREACTION SEVERITY, strong reaction; Standard Dresser test:Eye contact with mice, 2mg/24 HREACTION SEVERITY, strong reaction; 2. Acute toxicity: rat oral LD50: 3730mg/kg; mouse oral LD50: 2870mg/kg; rabbit skin contact LD50: 4mL/kg;
Ecological data
This substance is slightly hazardous to water.
Molecular structure data
1. Molar refractive index: 30.89
2. Molar volume (cm3/mol): 116.0
3. Isotonic specific volume (90.2K ): 285.8
4. Surface tension (dyne/cm): 36.8
5. Dielectric constant:
6. Dipole moment (10-24cm3):
7. Polarizability: 12.24
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 0.3
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 1
5. Number of tautomers: none
6. Topological molecule polar surface area 29.5
7. Number of heavy atoms: 8
8. Surface charge: 0
9. Complexity: 63.5
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 1
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
Avoid contact with oxides.
Storage method
Store in a cool, ventilated warehouse. Keep away from fire and heat sources. Keep container tightly sealed. should be kept away from oxidizer, do not store together. Equipped with the appropriate variety and quantity of fire equipment. Suitable materials should be available in the storage area to contain spills.
Synthesis method
None yet
Purpose
Organic reagents, pharmaceutical intermediates.
