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68688-86-8

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Basic Information
CAS No.: 68688-86-8
Name: 3-Methylcholanthrene-trans-7,8-dihydrodiol
Molecular Structure:
Molecular Structure of 68688-86-8 (3-Methylcholanthrene-trans-7,8-dihydrodiol)
Formula: C21H18O2
Molecular Weight: 302.39
Synonyms: 3-Methylcholanthrene-trans-7,8-dihydrodiol;Benz(j)aceanthrylene-7,8-diol,1,2,7,8-tetrahydro-3-methyl-,trans;trans-3-Methyl-7,8-dihydrocholanthrene-7,8-diol;trans-1,2-Dihydro-3-methylcholanthrene-7,8-dihydrodiol;trans-7,8-Dihydro-7,8-dihydroxy-3-methylcholanthrene;trans-1,2,7,8-Tetrahydro-3-methylbenz(j)aceanthrylene-7,8-diol;Cholanthrene-7,8-diol,7,8-dihydro-3-methyl-,(E);
Density: 1.378g/cm3
Boiling Point: 588.6°C at 760 mmHg
Flash Point: 282.1°C
Safety: Mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes.
PSA: 40.46000
LogP: 3.82110
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Chemistry

IUPAC Name: (7S,8S)-3-Methyl-1,2,7,8-tetrahydrobenzo[j]aceanthrylene-7,8-diol
Synonyms of trans-3-Methyl-7,8-dihydrocholanthrene-7,8-diol (CAS NO.68688-86-8) : 3-Methylcholanthrene-trans-7,8-dihydrodiol ; Benz(j)aceanthrylene-7,8-diol, 1,2,7,8-tetrahydro-3-methyl-, trans- ; trans-1,2,7,8-Tetrahydro-3-methylbenz(j)aceanthrylene-7,8-diol ; trans-3-Methyl-7,8-dihydrocholanthrene-7,8-diol
InChI:InChI=1/C21H18O2/c1-11-2-3-13-10-17-15(16-8-7-14(11)19(13)16)6-4-12-5-9-18(22)21(23)20(12)17/h2-6,9-10,18,21-23H,7-8H2,1H3/t18-,21+/m0/s1
CAS NO:68688-86-8
Molecular Formula:C21H18O2
Molecular Weight :302.3664
Molecular Structure :
Index of Refraction:1.801
Surface Tension: 67.9 dyne/cm
Density: 1.378 g/cm3
Flash Point: 282.1 °C
Enthalpy of Vaporization: 92.4 kJ/mol
Boiling Point: 588.6 °C at 760 mmHg
Vapour Pressure: 1.07E-14 mmHg at 25°C

Toxicity Data With Reference

1.    

mma-sat 10 µmol/L

     BBRCA9    Biochemical and Biophysical Research Communications. 85 (1978),1568.
2.    

sce-ham:ovr 500 µg/L

     CALEDQ    Cancer Letters (Shannon, Ireland). 7 (1979),45.

Safety Profile

Mutation data reported. When trans-3-Methyl-7,8-dihydrocholanthrene-7,8-diol (CAS NO.68688-86-8) is heated to decomposition, it emits acrid smoke and irritating fumes.