CAS 96107-95-8|Heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3,5,7(42),9,11,1

Introduction:Basic information about CAS 96107-95-8|Heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3,5,7(42),9,11,1, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common NameHeptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3,5,7(42),9,11,13(41),15,17,19(40),21,23,25(39),27,29,31(38),33,35-octadecaene-37,38,39,40,41,42-hexol
CAS Number96107-95-8Molecular Weight636.732
Density1.3±0.1 g/cm3Boiling Point788.8±60.0 °C at 760 mmHg
Molecular FormulaC42H36O6Melting Point395ºC(lit.)
MSDS/Flash Point316.8±27.5 °C

Names

NameCalix[6]arene
SynonymMore Synonyms

Chemical & Physical Properties

Density1.3±0.1 g/cm3
Boiling Point788.8±60.0 °C at 760 mmHg
Melting Point395ºC(lit.)
Molecular FormulaC42H36O6
Molecular Weight636.732
Flash Point316.8±27.5 °C
Exact Mass636.251160
PSA121.38000
LogP8.06
Vapour Pressure0.0±2.8 mmHg at 25°C
Index of Refraction1.689
InChIKeyJLSWUKWFQCVKCL-UHFFFAOYSA-N
SMILESOc1c2cccc1Cc1cccc(c1O)Cc1cccc(c1O)Cc1cccc(c1O)Cc1cccc(c1O)Cc1cccc(c1O)C2

Safety Information

Hazard CodesXi: Irritant;
Risk PhrasesR36/37/38
Safety Phrases22-24/25
WGK Germany3.0

Synonyms

Heptacyclo[31.3.1.1.1.1.1.1]dotetraconta-1(37),3,5,7(42),9,11,13(41),15,17,19(40),21,23,25(39),27,29,31(38),33,35-octadecaene-37,38,39,40,41,42-hexol
MFCD00143083
Heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3,5,7(42),9,11,13(41),15,17,19(40),21,23,25(39),27,29,31(38),33,35-octadecaene-37,38,39,40,41,42-hexol
37,38,39,40,41-hexakis(hydroxy)calix[6]arene
Hexahydroxycalix[6]arene
calix[6]arene-37,38,39,40,41,42-hexol
37,38,39,40,41,42-hexahydroxycalix<6>arene
Heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3(42),4,6,9(41),10,12,15(40),16,18,21(39),22,24,27(38),28,30,33,35-octadecaene-37,38,39,40,41,42-hexol
Heptacyclo[31.3.1.1.1.1.1.1]dotetraconta-1(37),3(42),4,6,9(41),10,12,15(40),16,18,21(39),22,24,27(38),28,30,33,35-octadecaene-37,38,39,40,41,42-hexol
p-H-calix[6]arene
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