Bis(4-tert-butylcyclohexyl) peroxydicarbonate supplier

Name
Bis(4-tert-butylcyclohexyl) peroxydicarbonate
EINECS 239-557-1
CAS No. 15520-11-3
Density 1.066 g/cm³
Solubility all others are insoluble
Melting Point 39.5°C
Formula C₂₂H₃₈O₆
Boiling Point 435.074 °C at 760 mmHg
Molecular Weight 398.54
Flash Point 183.028 °C
Transport Information UN 3114 5.2
Appearance white to off-white powder
Safety 3-7-14-36/37/39
Risk Codes 7
Molecular Structure
Hazard Symbols O
Synonyms Peroxydicarbonicacid, bis(4-tert-butylcyclohexyl) ester (8CI);Peroxydicarbonic acid, bis[4-(1,1-dimethylethyl)cyclohexyl]ester (9CI);Cyclohexanol, 4-tert-butyl-, peroxydicarbonate (2:1) (8CI);Bis(4-tert-butylcyclohexyl) percarbonate;Di(4-tert-Butylcyclohexyl) peroxydicarbonate;Di-tert-Butyldicyclohexylperoxydicarbonate;Espercarb 1043;Perkadox 16;Perkadox 16N;Perkadox 16S;Perkadox 16W40;Perkadox PX 16;Peroyl TCP;
PSA 71.06000
LogP 6.41760

Synthetic route

: 42125-46-2
4-tert-butylcyclohexyl chloroformate

: 15520-11-3

Conditions

Conditions	Yield
With 1,2-ethanediol, dibenzoate; dihydrogen peroxide; magnesium sulfate; sodium hydroxide In water; Petroleum ether at 40℃; for 2.5h; pH=10; Reagent/catalyst; Temperature;	126 g

Bis(4-tert-butylcyclohexyl) peroxydicarbonate Specification

The Bis(4-tert-butylcyclohexyl) peroxydicarbonate, with the CAS registry number 15520-11-3 and EINECS registry number 239-557-1, has the systematic name of 1-tert-butyl-4-{[({[(4-tert-butylcyclohexyl)oxy]carbonyl}peroxy)carbonyl]oxy}cyclohexane. And the molecular formula of the chemical is C₂₂H₃₈O₆.

The characteristics of Bis(4-tert-butylcyclohexyl) peroxydicarbonate are as followings: (1)ACD/LogP: 8.43; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.43; (4)ACD/LogD (pH 7.4): 8.43; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 920339.88; (8)ACD/KOC (pH 7.4): 920339.88; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 71.06 Å²; (13)Index of Refraction: 1.484; (14)Molar Refractivity: 106.95 cm³; (15)Molar Volume: 373.7 cm³; (16)Polarizability: 42.39×10^-24cm³; (17)Surface Tension: 38 dyne/cm; (18)Density: 1.06 g/cm³; (19)Flash Point: 183 °C; (20)Enthalpy of Vaporization: 69.13 kJ/mol; (21)Boiling Point: 435.1 °C at 760 mmHg; (22)Vapour Pressure: 9.01E-08 mmHg at 25°C.

You should be cautious while dealing with this chemical. It may cause fire. Therefore, you had better take the following instructions: Keep it in a dry and dool sealed container, and wear suitable protective clothing, gloves and eye/face protection.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OC1CCC(CC1)C(C)(C)C)OOC(=O)OC2CCC(C(C)(C)C)CC2
(2InChI: InChI=1/C22H38O6/c1-21(2,3)15-7-11-17(12-8-15)25-19(23)27-28-20(24)26-18-13-9-16(10-14-18)22(4,5)6/h15-18H,7-14H2,1-6H3
(3)InChIKey: NOBYOEQUFMGXBP-UHFFFAOYAT

Product Name

Bis(4-tert-butylcyclohexyl) peroxydicarbonate

Synthetic route

Bis(4-tert-butylcyclohexyl) peroxydicarbonate Specification

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