structural formula
| business number | 01qc |
|---|---|
| molecular formula | c17h20o2 |
| molecular weight | 256.34 |
| label |
4,4′-(1-methylethylene)bis(2-methylphenol), 4,4′-isopropylidene-o-cresol |
numbering system
cas number:79-97-0
mdl number:mfcd00002232
einecs number:201-240-0
rtecs number:gp1750000
brn number:none
pubchem number:24891789
physical property data
1. characteristics: white crystalline powder
2. density (g/ml,25/4℃): unsure
3. relative vapor density (g/ml,air=1): unsure
4. melting point (ºc):210 ℃～217
5. boiling point (ºc,normal pressure): uncertain
6. boiling point (ºc,5.2kpa): unsure
7. refractive index: uncertain
8. flash point (ºc): unsure
9. specific optical rotation (º): unsure
10. autoignition point or ignition temperature (ºc): unsure
11. vapor pressure (kpa,25ºc): unsure
12.
molecular structure data
5. molecular property data:
1. molar refractive index: 77.81
2. molar volume (m3/mol）：232.1
3. isotonic specific volume (90.2k):595.1
4. surface tension (dyne/cm):43.2
5. <span style="font -size: 9pt; font-family: 宋体; mso-ascii-font-family: arial; mso-hansi-font-f
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): 4.7
2. number of hydrogen bond donors: 2
3. number of hydrogen bond acceptors: 2
4. number of rotatable chemical bonds: 2
5. number of tautomers: 5
6. topological molecule polar surface area 40.5
7. number of heavy atoms: 19
8. surface charge: 0
9. complexity: 272
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
none yet
storage method
this product should be sealed and stored in a cool place.
synthesis method
none yet
purpose
organic synthesis and biochemical research.
quality and stability
none yet
storage method
this product should be sealed and stored in a cool place.
synthesis method
none yet
purpose
organic synthesis and biochemical research.
