
structural formula
| business number | 05z0 |
|---|---|
| molecular formula | c8h10o |
| molecular weight | 122.16 |
| label |
3-methylbenzyl alcohol, 3-methylbenzyl alcohol, 3-methylbenzyl alcohol, ch3c6h4ch2oh, benzene and special alcohols, via c7 to c8, oxygen compounds |
numbering system
cas number:587-03-1
mdl number:mfcd00004646
einecs number:209-595-3
rtecs number:none
brn number:2324516
pubchem number:24851307
physical property data
1. physical property data
1. boiling point (ºc, normal pressure): 215 .5ºc
2. melting point (ºc): -20
3. refractive index at room temperature (n20): 1.5368
4. relative density (20℃, 4℃): 0.915717
toxicological data
none yet
ecological data
3. ecological data:
1. other harmful effects: this substance may be harmful to the environment, and special attention should be paid to water bodies.
molecular structure data
molecular property data:
1. molar refractive index: 37.52
2. molar volume (cm3/mol): 119.5
3. etc. zhangratong (90.2k): 298.4
4. surface tension (dyne/cm): 38.8
5. polarizability (10-24cm3): 14.87
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: 1
4. number of rotatable chemical bonds: 1
5. number of tautomers: none
6. topological molecule polar surface area 20.2
7. number of heavy atoms: 9
8. surface charge: 0
9. complexity: 80.6
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
stability and reactivity:
materials to avoid: oxides.
products to be decomposed: carbon monoxide and carbon dioxide.
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

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