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tert-Butylcalix[8]arene

tert-Butylcalix[8]arene structure

CAS No:
68971-82-4
Formula:
C88H112O8
Chemical Name:
tert-Butylcalix[8]arene
Synonyms:
Nonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(49),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27,29,31(52),33,35,37(51),39,41,43(50),45,47-tetracosaene-49,50,51,52,53,54,55,56-octol,5,11,17,23,29,35,41,47-octakis(1,1-dimethylethyl)-;5,11,17,23,29,35,41,47-Octakis(1,1-dimethylethyl)nonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(49),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27,29,31(52),33,35,37(51),39,41,43(50),45,47-tetracosaene-49,50,51,52,53,54,55,56-octol;p-tert-Butylcalix[8]arene;4-(1,1-Dimethylethyl)calix[8]arene;4-tert-Butylcalix[8]arene;5,11,17,23,29,35,41,47-Octa-tert-butylcalix[8]arene-49,50,51,52,53,54,55,56-octol;p-tert-Butylhydroxycalix[8]arene;tert-Butylcalix[8]arene;NSC 344028;Bontron E 89;E 89;CALX-B 8;78092-52-1;106750-70-3;121612-88-2;123369-48-2;142639-45-0;150335-48-1;152165-59-8;376396-34-8;406713-69-7;438025-49-1;507232-86-2;882134-55-6
Categories:
Organic Chemistry > Heterocyclic Ring

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tert-Butylcalix[8]arene Basic Attributes

Molecular Weight：

1297.83

Exact Mass：

1297.83

NSC Number：

344028

DSSTox ID：

DTXSID1091551

Characteristics

PSA：

162 Å²

Density：

1.095±0.06 g/cm3

Melting Point：

418 °C (decomp)

Boiling Point：

845.32°C (rough estimate)

Refractive Index：

1.6000 (estimate)

PKA：

9.23±0.20

Safety Information

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

Marks：

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 44 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

p-tert-butylcalix(8)arene

tert-Butylcalix[8]arene Use and Manufacturing

Manufacturing Info：

Nonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(49),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27,29,31(52),33,35,37(51),39,41,43(50),45,47-tetracosaene-49,50,51,52,53,54,55,56-octol, 5,11,17,23,29,35,41,47-octakis(1,1-dimethylethyl)-: ACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Computed Properties

Molecular Weight:1297.8
XLogP3:25.9
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:8
Exact Mass:1296.83572053
Monoisotopic Mass:1296.83572053
Topological Polar Surface Area:162
Heavy Atom Count:96
Complexity:1850
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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4-tert-Butylcalix8arene

CAS No.: 68971-82-4

Content: 99.00%

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