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| CAS No.: | 3006-86-8 |
|---|---|
| Name: | 1,1-Di(tert-butylperoxy)cyclohexane |
| Article Data: | 12 |
| Molecular Structure: | |
|
|
|
| Formula: | C14H28O4 |
| Molecular Weight: | 260.374 |
| 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; |
| EINECS: | 221-111-2 |
| Density: | 0.97 g/cm3 |
| Melting Point: | 65 °C (SADT) |
| Boiling Point: | 278.8 °C at 760 mmHg |
| Flash Point: | 97.3 °C |
| Solubility: | miscible with water |
| Appearance: | clear liquid |
| Hazard Symbols: |
 O,  N,  T
|
| Risk Codes: | 7-62-50/53-36/37/38-61 |
| Safety: | 17-36/37/39-3/7-14A-61-60-45-26-14-53 |
| Transport Information: | UN 3103 5.2 |
| PSA: | 36.92000 |
| LogP: | 4.14020 |
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- 68439-39-4Poly(oxy-1,2-ethanediyl), alpha-(2-ethylhexyl)-omega-hydroxy-,
- 852475-26-4MC1568
- 75-91-2
tert.-butylhydroperoxide
- 933-40-4
cycloxexanone dimethyl ketal
- 3006-86-8
1,1-bis(tert-butylperoxy)cyclohexane
| 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 | Yield |
|---|---|
| With tetrafluoroboric acid In Petroleum ether at 20℃; for 3h; | 91% |
| 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 | 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
| Conditions | Yield |
|---|---|
| With toluene-4-sulfonic acid | 74% |
| 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 | 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 | 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 | 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; |
- 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
| Conditions | Yield |
|---|---|
| at 80℃; Kinetics; Rate constant; Thermodynamic data; ΔH(excit.), ΔS(excit.); mechanism; var. temperat.; |
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Chemistry
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
Uses
1,1-Di(tert-butylperoxy)cyclohexane (3006-86-8) is used as hardener agent for fiber reinforced plastic products.
Safety Profile
Hazard Codes: O,N,T .gif){kind=small}
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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
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