5,11,17,23,29,35-Hexakis(2-methyl-2-propanyl)heptacyclo[31.3.1.1~3,7~.1~9,13~.1~15,19~.1~21,25~.1~27,31~]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-octadecae ne-37,38,39,40,41,42-hexol

Basic Information

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CAS Number

78092-53-2

Molecular Formula

C66H84O6

Molecular Weight

973.39 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Melting Point

≥300 °C

Boiling Point

784.26°C (rough estimate)

Density

0.9131 (rough estimate)

Flash Point

281.3±28.9 °C

Refractive Index

1.6000 (estimate)

SMILES

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CC(C)(C)C1=CC2=C(C(=C1)CC3=CC(=CC(=C3O)CC4=CC(=CC(=C4O)CC5=CC(=CC(=C5O)CC6=C(C(=CC(=C6)C(C)(C)C)CC7=C(C(=CC(=C7)C(C)(C)C)C2)O)O)C(C)(C)C)C(C)(C)C)C(C)(C)C)O

InChI

InChI=1S/C66H84O6/c1-61(2,3)49-25-37-19-39-27-50(62(4,5)6)29-41(56(39)68)21-43-31-52(64(10,11)12)33-45(58(43)70)23-47-35-54(66(16,17)18)36-48(60(47)72)24-46-34-53(65(13,14)15)32-44(59(46)71)22-42-30-51(63(7,8)9)28-40(57(42)69)20-38(26-49)55(37)67/h25-36,67-72H,19-24H2,1-18H3

InChIKey

UOEYZAXKBKAKRO-UHFFFAOYSA-N

LogP

15.563399999999953

Topological Polar Surface Area

121.38000000000001 Å²

Hydrogen Bond Donor/Acceptor

6 / 6

Complexity

1330

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

4-tert-Butylcalix(6)arene
F1170-0411
B5375
NSC-344029
5,11,17,23,29,35-hexa-tert-butylcalix[6]arene-37,38,39,40,41,42-hexol
4-tert-Butylcalix[6]arene
FT-0619503
D89122
Q27122481
CHEBI:51251
5,11,17,23,29,35-hexatert-butylheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadecaene-37,38,39,40,41,42-hexol
B9OG173DMY
p-t-butylcalix[6]arene
CHEMBL4640638
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, 5,11,17,23,29,35-hexakis(1,1-dimethylethyl)-, stereoisomer
78092-53-2
AKOS003615762
Hexa-tert-butyl(hexahydroxy)calix[6]arene
p-tert-Butylcalix-6-arene
Calx-b 6
DTXSID30319359
MFCD00075464
AS-10593
SCHEMBL2471228
189832-67-5
NSC344029
H0714
4-tert-Butylcalix[6]arene, 95%
J-700382
CS-0199237
5,11,17,23,29,35-hexa-tert-butylheptacyclo[31.3.1.1?,?.1?,??.1??,??.1??,??.1??,??]dotetraconta-1(37),3,5,7(42),9,11,13(41),15(40),16,18,21(39),22,24,27(38),28,30,33,35-octadecaene-37,38,39,40,41,42-hexol

MDL Number

MFCD00075464

FAQ

What regulatory guidelines apply to 5,11,17,23,29,35-Hexakis(2-methyl-2-propanyl)heptacyclo[31.3.1.1~3,7~.1~9,13~.1~15,19~.1~21,25~.1~27,31~]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-octadecae ne-37,38,39,40,41,42-hexol (CAS: 78092-53-2)?

Regulatory guidelines for this compound include classification under the Globally Harmonized System (GHS), which may require hazard communication labels. In the European Union, it falls under REACH regulations. For FDA/EPA purposes, this compound may require specific registration and reporting. Additionally, it should comply with local and national environmental protection laws and regulations.

Are there alternatives to 5,11,17,23,29,35-Hexakis(2-methyl-2-propanyl)heptacyclo[31.3.1.1~3,7~.1~9,13~.1~15,19~.1~21,25~.1~27,31~]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-octadecae ne-37,38,39,40,41,42-hexol (CAS: 78092-53-2) in synthesis?

In synthesis, alternatives to this highly complex compound could include simpler alcohols or cyclic compounds. Common alternatives might be isomers or analogs with similar functional groups, such as cyclohexanol or similar cyclic alcohols. However, the choice depends on the specific synthesis requirements and the desired properties of the final product.

What is the market or research trend for 5,11,17,23,29,35-Hexakis(2-methyl-2-propanyl)heptacyclo[31.3.1.1~3,7~.1~9,13~.1~15,19~.1~21,25~.1~27,31~]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-octadecae ne-37,38,39,40,41,42-hexol (CAS: 78092-53-2)?

The research trend for this compound is relatively niche due to its complexity. However, it may be of interest in specialized areas such as organic synthesis, pharmaceuticals, or materials science. Market trends suggest a focus on developing simpler analogs or less complex cyclic alcohols for practical applications. The compound's market is likely to be limited due to its high complexity and potential safety concerns.

How should waste containing 5,11,17,23,29,35-Hexakis(2-methyl-2-propanyl)heptacyclo[31.3.1.1~3,7~.1~9,13~.1~15,19~.1~21,25~.1~27,31~]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-octadecae ne-37,38,39,40,41,42-hexol (CAS: 78092-53-2) be handled?

Waste containing this compound should be handled with care, following hazardous waste disposal guidelines. Collection should be done in a sealed container, and the waste should be professionally disposed of through incineration or other appropriate methods. Environmental protection precautions include ensuring proper labeling and documentation, and adherence to local and national environmental regulations. Training for personnel handling this waste is crucial to prevent exposure and ensure safety.