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Name	1,1-Di(tert-butylperoxy)cyclohexane	EINECS	221-111-2
CAS No.	3006-86-8	Density	0.97 g/cm³
PSA	36.92000	LogP	4.14020
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		Hazard Symbols	O, N, T
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;	Article Data	12

1,1-Di(tert-butylperoxy)cyclohexane Synthetic route

: 75-91-2
tert.-butylhydroperoxide

: 933-40-4
cycloxexanone dimethyl ketal

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

Conditions

Conditions	Yield
With tetrafluoroboric acid In diethyl ether; Petroleum ether at 20℃; for 3h;	92%

: 75-91-2
tert.-butylhydroperoxide

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

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

Conditions

Conditions	Yield
With tetrafluoroboric acid In Petroleum ether at 20℃; for 3h;	91%

: 75-91-2
tert.-butylhydroperoxide

: 108-94-1
cyclohexanone

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

Conditions

Conditions	Yield
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%

: 75-91-2
tert.-butylhydroperoxide

: 25813-15-4
1-tert-butylperoxycylohexanol

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

Conditions

Conditions	Yield
With sulfuric acid In 1,4-dioxane at 25℃; Equilibrium constant; Rate constant;

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

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

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

Conditions

Conditions	Yield
With toluene-4-sulfonic acid	74%

: 100-42-5
styrene

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

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

Conditions

Conditions	Yield
With methanesulfonic acid; toluene-4-sulfonic acid In acetonitrile at 20℃; for 4h; Schlenk technique;	65%

: 694-59-7
pyridine N-oxide

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

A: 931-19-1
2-methylpyridine N-oxide

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

Conditions

Conditions	Yield
In neat (no solvent) at 120℃; for 24h; Sealed tube; Inert atmosphere; Schlenk technique;	A 38% B 13%

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

A: 75-91-2
tert.-butylhydroperoxide

B: 25813-15-4
1-tert-butylperoxycylohexanol

Conditions

Conditions	Yield
With sulfuric acid; water In 1,4-dioxane at 25℃; Equilibrium constant;

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

A: 1889-67-4
dicumene

B: 10100-94-4
tert-butyl peroxyhexanoate

C: 67-64-1
acetone

D: 75-65-0
tert-butyl alcohol

E: 109-66-0
pentane

Conditions

Conditions	Yield
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

: 98-82-8
Isopropylbenzene

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

A: 1889-67-4
dicumene

B: 10100-94-4
tert-butyl peroxyhexanoate

C: 3457-61-2
tert-butyl cumyl peroxide

D: 108-94-1
cyclohexanone

E: 67-64-1
acetone

F: 75-65-0
tert-butyl alcohol

G polyester of 2-hydroxyhexanoic acid: polyester of 2-hydroxyhexanoic acid

Conditions

Conditions	Yield
at 80℃; Kinetics; Rate constant; Thermodynamic data; ΔH(excit.), ΔS(excit.); mechanism; var. temperat.;

...Expand

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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