Product Name

  • Name

    1,1-Di(tert-butylperoxy)cyclohexane

  • EINECS 221-111-2
  • CAS No. 3006-86-8
  • Article Data12
  • CAS DataBase
  • Density 0.97 g/cm3
  • Solubility miscible with water
  • Melting Point 65 °C (SADT)
  • Formula C14H28O4
  • Boiling Point 278.8 °C at 760 mmHg
  • Molecular Weight 260.374
  • Flash Point 97.3 °C
  • Transport Information UN 3103 5.2
  • Appearance clear liquid
  • Safety 17-36/37/39-3/7-14A-61-60-45-26-14-53
  • Risk Codes 7-62-50/53-36/37/38-61
  • Molecular Structure Molecular Structure of 3006-86-8 (1,1-Di(tert-butylperoxy)cyclohexane)
  • Hazard Symbols OxidizingO, DangerousN, ToxicT
  • Synonyms Peroxide,cyclohexylidenebis[(1,1-dimethylethyl) (9CI);Peroxide,cyclohexylidenebis[tert-butyl (6CI,7CI,8CI);1,1-Bis(tert-butyldioxy)cyclohexane;1,1-Bis(tert-butylperoxy)cyclohexane;1,1-Di(t-butylperoxy)cyclohexane;1,1-di(tert-Butylperoxy)cyclohexane;CH50-AL;Chaloxyd P 1250AL;DP 275B;L 331;Luperco 331XL;Luperox 331;Luperox331M50;Luperox 331M80;Lupersol 321;Lupersol 331;Lupersol 331-80B;PerhexaC;Perhexa C 40;Perhexa C 75;Perhexa CS;Peroxan PK 122W;Trigonox 22;Trigonox 22B50;Trigonox 22B75;Trigonox 22C50;Trigonox 22E50;Trigonox 22E70;USP 400;USP 400P;
  • PSA 36.92000
  • LogP 4.14020

Synthetic route

tert.-butylhydroperoxide
75-91-2

tert.-butylhydroperoxide

cycloxexanone dimethyl ketal
933-40-4

cycloxexanone dimethyl ketal

1,1-bis(tert-butylperoxy)cyclohexane
3006-86-8

1,1-bis(tert-butylperoxy)cyclohexane

Conditions
ConditionsYield
With tetrafluoroboric acid In diethyl ether; Petroleum ether at 20℃; for 3h;92%
tert.-butylhydroperoxide
75-91-2

tert.-butylhydroperoxide

1-methoxy-cyclohex-1-ene
931-57-7

1-methoxy-cyclohex-1-ene

1,1-bis(tert-butylperoxy)cyclohexane
3006-86-8

1,1-bis(tert-butylperoxy)cyclohexane

Conditions
ConditionsYield
With tetrafluoroboric acid In Petroleum ether at 20℃; for 3h;91%
tert.-butylhydroperoxide
75-91-2

tert.-butylhydroperoxide

cyclohexanone
108-94-1

cyclohexanone

1,1-bis(tert-butylperoxy)cyclohexane
3006-86-8

1,1-bis(tert-butylperoxy)cyclohexane

Conditions
ConditionsYield
With sulfuric acid at 15℃; for 2h;89%
With sulfuric acid In toluene at 0 - 12℃; for 0.75h;58%
With sulfuric acid In various solvent(s) at 10℃; for 0.5h;43%
tert.-butylhydroperoxide
75-91-2

tert.-butylhydroperoxide

1-tert-butylperoxycylohexanol
25813-15-4

1-tert-butylperoxycylohexanol

1,1-bis(tert-butylperoxy)cyclohexane
3006-86-8

1,1-bis(tert-butylperoxy)cyclohexane

Conditions
ConditionsYield
With sulfuric acid In 1,4-dioxane at 25℃; Equilibrium constant; Rate constant;
1,1-bis(tert-butylperoxy)cyclohexane
3006-86-8

1,1-bis(tert-butylperoxy)cyclohexane

ethyl 3-hydroperoxy-2-methylenebutanoate
100841-11-0

ethyl 3-hydroperoxy-2-methylenebutanoate

ethyl 2-<1-<<1-(tert-butylperoxy)-1-cyclohexyl>peroxy>ethyl>propenoate

ethyl 2-<1-<<1-(tert-butylperoxy)-1-cyclohexyl>peroxy>ethyl>propenoate

Conditions
ConditionsYield
With toluene-4-sulfonic acid74%
styrene
100-42-5

styrene

1,1-bis(tert-butylperoxy)cyclohexane
3006-86-8

1,1-bis(tert-butylperoxy)cyclohexane

2-(2-(tert-butylperoxy)-2-phenylethyl)cyclohexan-1-one

2-(2-(tert-butylperoxy)-2-phenylethyl)cyclohexan-1-one

Conditions
ConditionsYield
With methanesulfonic acid; toluene-4-sulfonic acid In acetonitrile at 20℃; for 4h; Schlenk technique;65%
pyridine N-oxide
694-59-7

pyridine N-oxide

1,1-bis(tert-butylperoxy)cyclohexane
3006-86-8

1,1-bis(tert-butylperoxy)cyclohexane

A

2-methylpyridine N-oxide
931-19-1

2-methylpyridine N-oxide

B

2,6-lutidine N-oxide
1073-23-0

2,6-lutidine N-oxide

Conditions
ConditionsYield
In neat (no solvent) at 120℃; for 24h; Sealed tube; Inert atmosphere; Schlenk technique;A 38%
B 13%
...Expand
1,1-bis(tert-butylperoxy)cyclohexane
3006-86-8

1,1-bis(tert-butylperoxy)cyclohexane

A

tert.-butylhydroperoxide
75-91-2

tert.-butylhydroperoxide

B

1-tert-butylperoxycylohexanol
25813-15-4

1-tert-butylperoxycylohexanol

Conditions
ConditionsYield
With sulfuric acid; water In 1,4-dioxane at 25℃; Equilibrium constant;
1,1-bis(tert-butylperoxy)cyclohexane
3006-86-8

1,1-bis(tert-butylperoxy)cyclohexane

A

dicumene
1889-67-4

dicumene

B

tert-butyl peroxyhexanoate
10100-94-4

tert-butyl peroxyhexanoate

C

acetone
67-64-1

acetone

D

tert-butyl alcohol
75-65-0

tert-butyl alcohol

E

pentane
109-66-0

pentane

Conditions
ConditionsYield
In various solvent(s) at 80℃; for 40h; Mechanism; Product distribution;A 71 % Chromat.
B 42 % Chromat.
C 8 % Chromat.
D 139 % Chromat.
E 2 % Chromat.
In nonane at 100℃; Rate constant;
In dodecane at 100℃; Rate constant; n-hexadecane as solvent;
In hexane at 100℃; Rate constant;
...Expand
Isopropylbenzene
98-82-8

Isopropylbenzene

1,1-bis(tert-butylperoxy)cyclohexane
3006-86-8

1,1-bis(tert-butylperoxy)cyclohexane

A

dicumene
1889-67-4

dicumene

B

tert-butyl peroxyhexanoate
10100-94-4

tert-butyl peroxyhexanoate

C

tert-butyl cumyl peroxide
3457-61-2

tert-butyl cumyl peroxide

D

cyclohexanone
108-94-1

cyclohexanone

E

acetone
67-64-1

acetone

F

tert-butyl alcohol
75-65-0

tert-butyl alcohol

G

polyester of 2-hydroxyhexanoic acid

polyester of 2-hydroxyhexanoic acid

Conditions
ConditionsYield
at 80℃; Kinetics; Rate constant; Thermodynamic data; ΔH(excit.), ΔS(excit.); mechanism; var. temperat.;
...Expand
1,1-bis(tert-butylperoxy)cyclohexane
3006-86-8

1,1-bis(tert-butylperoxy)cyclohexane

tert-butyl 8,9-epoxy-8-(ethoxycarbonyl)perdecanoate

tert-butyl 8,9-epoxy-8-(ethoxycarbonyl)perdecanoate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 74 percent / p-toluenesulfonic acid monohydrate
2: 90 percent / Et3B, O2 / benzene; hexane / 0.5 h / 20 °C
View Scheme

1,1-Di(tert-butylperoxy)cyclohexane Chemical Properties

 1,1-Di(tert-butylperoxy)cyclohexane (3006-86-8) is called for Peroxide,cyclohexylidenebis[(1,1-dimethylethyl) ; Trigonox(R) 22 ; Trigonox 22 ; Cyclohexylidenebis(tert-butyl)peroxide ; Luperox(TM) 331M80 ; Luperox 331M80 ; CID76359 ; 1,1-Bis(tert-butylperoxy)cyclohexane (Luperox(R) 331M80) solution ,and so on. 1,1-Di(tert-butylperoxy)cyclohexane (3006-86-8) is usually clear combustible liquid.

IUPAC Name: 1,1-Bis(tert-butylperoxy)cyclohexane
CAS: 3006-86-8
Molecular Formula: C14H28O4
Molecular Weight: 260.37
Molecular structure:
EINECS: 221-111-2
Melting point:  65 °C (SADT)
Storage temp.:  Refrigerator (+4°C)
Water Solubility:  miscible
ACD/LogD (pH 5.5): 5.39 
ACD/LogD (pH 7.4): 5.39 
ACD/BCF (pH 5.5): 7358.26 
ACD/BCF (pH 7.4): 7358.26 
ACD/KOC (pH 5.5): 20390.54 
ACD/KOC (pH 7.4): 20390.54 
H bond acceptors: 4 
H bond donors: 0 
Freely Rotating Bonds: 6 
Index of Refraction: 1.45 
Molar Refractivity: 71.81 cm3 
Molar Volume: 266.9 cm3 
Polarizability: 28.46 10-24cm3 
Surface Tension: 31.2 dyne/cm 
Density: 0.97 g/cm3 
Flash Point: 97.3 °C 
Enthalpy of Vaporization: 49.67 kJ/mol 
Boiling Point: 278.8 °C at 760 mmHg 
Vapour Pressure: 0.00705 mmHg at 25°C 

1,1-Di(tert-butylperoxy)cyclohexane Uses

 1,1-Di(tert-butylperoxy)cyclohexane (3006-86-8) is used as hardener agent for  fiber reinforced plastic products.

1,1-Di(tert-butylperoxy)cyclohexane Safety Profile

Hazard Codes:  O,N,T   
Risk Statements:  7-62-50/53-36/37/38-61 (7:  May cause fire 62:  Possible risk of impaired fertility 50/53:  Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment 36/37/38:  Irritating to eyes, respiratory system and skin 61:  May cause harm to the unborn child)
Safety Statements:  17-36/37/39-3/7-14A-61-60-45-26-14-53 (17:  Keep away from combustible material  36/37/39:  Wear suitable protective clothing, gloves and eye/face protection 3/7:  Keep container tightly closed in a cool place 14:  Keep away from ... (incompatible materials to be indicated by the manufacturer) 61:  Avoid release to the environment. Refer to special instructions safety data sheet 60:  This material and/or its container must be disposed of as hazardous waste 45:  In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) 26:  In case of contact with eyes, rinse immediately with plenty of water and seek medical advice  53:  Avoid exposure - obtain special instruction before use)
RIDADR:  UN 3103 5.2
WGK Germany:  2
HazardClass:  5.2
PackingGroup:  II

1,1-Di(tert-butylperoxy)cyclohexane Specification

Removal in wastewater treatment of 1,1-Di(tert-butylperoxy)cyclohexane (3006-86-8) can be stated as follows:
Total removal:93.09  percent
Total biodegradation:0.77  percent
Total sludge adsorption:92.03  percent
Total to Air:0.29  percent

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