Home >> Chemicals Listing >> hot product list by P  

Pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-25,26,27,28-tetrol,5,11,17,23-tetrakis(1,1-dimethylethyl)- (60705-62-6)

Identification
Name:Pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-25,26,27,28-tetrol,5,11,17,23-tetrakis(1,1-dimethylethyl)-
Synonyms:Pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-25,26,27,28-tetrol,5,11,17,23-tetra-tert-butyl- (6CI,7CI);4-tert-Butylcalix[4]arene;4-tert-Butylcalix[4]arene-25,26,27,28-tetrol;5,11,17,23-Tetra-4-tert-butyl-25,26,27,28-tetrahydroxycalix[4]arene;5,11,17,23-Tetra-p-tert-butyl-25,26,27,28-tetrahydroxycalix(4)arene;5,11,17,23-Tetra-tert-butyl-25,26,27,28-tetrahydroxycalix[4]arene;5,11,17,23-Tetra-tert-butylcalix[4]arene;Formaldehyde-p-tert-butylphenylcyclic tetramer;NSC 344251;Tetra-p-tert-butyltetracalix[4]arene;Tetra-tert-butylcalix[4]arene;p-tert-Butylcalix[4]arene;p-tert-Butylcalix[4]arene-25,26,27,28-tetrol;p-tert-Butylcalix[4]arenetetrol;tert-Butylcalix[4]arene;
CAS:60705-62-6
EINECS: -0
Molecular Formula: C44H56O4
Molecular Weight: 648.91
InChI: InChI=1/C44H56O4/c1-41(2,3)33-17-25-13-27-19-34(42(4,5)6)21-29(38(27)46)15-31-23-36(44(10,11)12)24-32(40(31)48)16-30-22-35(43(7,8)9)20-28(39(30)47)14-26(18-33)37(25)45/h17-24,45-48H,13-16H2,1-12H3
Molecular Structure: (C44H56O4) Pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaen...
Properties
Density:1.095 g/cm3
Refractive index:1.582
Appearance:WHITE TO OFF-WHITE SOLID, POWDER OR CRYSTALS
Specification:

The 4-tert-Butylcalix[4]arene, with the cas registry number 60705-62-6, has the systematic name of 5,11,17,23-tetra-tert-butylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-25,26,27,28-tetrol. It is a kind of white to light beige crystalline powder or flakes, and it belongs to the following product categories: Pharmacetical; Calixarenes; Functional Materials; Macrocycles for Host-Guest Chemistry; AlcoholsSynthetic Reagents; Monomers; Polymer Science; Chelation/Complexation Compounds; Synthetic Reagents. And the molecular formula of the chemical is C44H56O4.

The characteristics of this chemical are as followings: (1)ACD/LogP: 13.52; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 13.519; (4)ACD/LogD (pH 7.4): 13.516; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 80.92 Å2; (13)Index of Refraction: 1.582; (14)Molar Refractivity: 197.89 cm3; (15)Molar Volume: 592.586 cm3; (16)Polarizability: 78.45×10-24cm3; (17)Surface Tension: 41.694 dyne/cm; (18)Density: 1.095 g/cm3; (19)Flash Point: 252.589 °C; (20)Enthalpy of Vaporization: 103.812 kJ/mol; (21)Boiling Point: 683.146 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: not to breathe dust and avoid to contact with skin and eyes.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CC(C)(C)c1cc2c(c(c1)Cc3cc(cc(c3O)Cc4cc(cc(c4O)Cc5cc(cc(c5O)C2)C(C)(C)C)C(C)(C)C)C(C)(C)C)O
(2)InChI: InChI=1/C44H56O4/c1-41(2,3)33-17-25-13-27-19-34(42(4,5)6)21-29(38(27)46)15-31-23-36(44(10,11)12)24-32(40(31)48)16-30-22-35(43(7,8)9)20-28(39(30)47)14-26(18-33)37(25)45/h17-24,45-48H,13-16H2,1-12H3
(3)InChIKey: NVKLTRSBZLYZHK-UHFFFAOYAB

Safety Data
 

Other Product