Product Name

  • Name

    1,1-Di-(tert-butylperoxy)-3,3,5-trimethylcyclohexane

  • EINECS 229-782-3
  • CAS No. 6731-36-8
  • Article Data3
  • CAS DataBase
  • Density 0.955 g/cm3
  • Solubility Immiscible with water
  • Melting Point -20 °C
  • Formula C17H34O4
  • Boiling Point 312.16 °C at 760 mmHg
  • Molecular Weight 302.455
  • Flash Point 108.653 °C
  • Transport Information UN 3101
  • Appearance clear solution
  • Safety 14A-26-28B-3/7-36/37/39
  • Risk Codes 7
  • Molecular Structure Molecular Structure of 6731-36-8 (1,1-Di-(tert-butylperoxy)-3,3,5-trimethylcyclohexane)
  • Hazard Symbols OxidizingO
  • Synonyms Peroxide,(3,3,5-trimethylcyclohexylidene)bis[(1,1-dimethylethyl) (9CI);Peroxide, (3,3,5-trimethylcyclohexylidene)bis[tert-butyl(6CI,7CI,8CI);1,1-Bis(tert-butyl)-3,3,5-trimethylcyclohexane peroxide;1,1-Bis(tert-butyldioxy)-3,3,5-trimethylcyclohexane;1,1-Bis(tert-butylperoxy)-3,3,5-trimethylcyclohexane;1,1-Bis(tert-butylperoxy)-3,5,5-trimethylcyclohexane;1,1-Di(t-butylperoxy)-3,3,5-trimethylcyclohexane;1,1-Di-tert-butylperoxy-3,3,5-trimethylcyclohexane;1,1-Di-tert-butylperoxy-3,5,5-trimethylcyclohexane;3,3,5-Trimethyl-1,1-bis(tert-butylperoxy)cyclohexane;Interox TMCH 40IC;Link-Cup TMCH;Luperco 231G;Luperco 231G40;Luperco 231XL;Luperco 231XLP;Luperox 231;Luperox 231-50;Luperox 231P75;Luperox 231XL;Luperox 231XL40SP;Lupersol 230XL;Lupersol 231;Lupersol L 231;Perhexa 3M;Perhexa 3M40;Perhexa3M40V;Sanperox CY 1.1;TX 29B50;Trigonox 29;Trigonox 29-40B-PD;Trigonox29/40;Trigonox 29/40MB;Trigonox 29A;Trigonox 29B50;Trigonox 29B75;Trigonox29B90;Trigonox 29C75;Tx 29;USP 495D;Varox 231;Varox 231XL;Varox 231XL40;gem-Bis(tert-butylperoxy)-3,3,5-trimethylcyclohexane;gem-Di-tert-butylperoxy-3,3,5-trimethylcyclohexane;
  • PSA 36.92000
  • LogP 5.02230

Synthetic route

tert.-butylhydroperoxide
75-91-2

tert.-butylhydroperoxide

dihydroisophorone
873-94-9

dihydroisophorone

1,1-bis(tert-butylperoxy)-3,3,5-trimethylcyclohexane
6731-36-8

1,1-bis(tert-butylperoxy)-3,3,5-trimethylcyclohexane

Conditions
ConditionsYield
With sulfuric acid In water at 12 - 18℃;63%

1,1-Bis(t-butylperoxy)-3,3,5-trimethylcyclohexane Chemical Properties

IUPAC   Name: 1,1-Bis(tert-butylperoxy)-3,3,5-trimethylcyclohexane     
Empirical Formula: C17H34O4
Molecular Weight: 302.4495 
Einecs: 229-782-3 
Product Categories: Organics
Freely Rotating Bonds: 6
Polar Surface Area: 36.92 Å2
Index of Refraction: 1.453
Molar Refractivity: 85.68 cm3
Molar Volume: 316.8 cm3
Polarizability: 33.96 ×10-24 cm3
Surface Tension: 30.7 dyne/cm
Density: 0.95 g/cm3
Flash Point: 108.7 °C
Enthalpy of Vaporization: 53.11 kJ/mol
Boiling Point: 312.2 °C at 760 mmHg
Vapour Pressure: 0.000988 mmHg at 25°C 
The Cas Register Number of  1,1-Bis(t-butylperoxy)-3,3,5-trimethylcyclohexane is 6731-36-8.The chemical synonyms of  1,1-Bis(t-butylperoxy)-3,3,5-trimethylcyclohexane (CAS NO.6731-36-8) are Di-tert-butyl 3,3,5-trimethylcyclohexylidene diperoxide  and  Peroxide, (3,3,5-trimethylcyclohexylidene)bis((1,1-dimethylethyl) .The molecular structure of  1,1-Bis(t-butylperoxy)-3,3,5-trimethylcyclohexane (CAS NO.6731-36-8) is
.

1,1-Bis(t-butylperoxy)-3,3,5-trimethylcyclohexane Uses

  1,1-Bis(t-butylperoxy)-3,3,5-trimethylcyclohexane (CAS NO.6731-36-8) is used in organic synthesis .

1,1-Bis(t-butylperoxy)-3,3,5-trimethylcyclohexane Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 12918mg/kg (12918mg/kg)   Eisei Shikenjo Hokoku. Bulletin of the Institute of Hygienic Sciences. Vol. (110), Pg. 42, 1992.

1,1-Bis(t-butylperoxy)-3,3,5-trimethylcyclohexane Safety Profile

Hazard Codes: OxidizingO,IrritantXi,DangerousN,ToxicT
Risk Statements: 8-7-41-37/38-36/37/38-62-50-61 
R8 : Contact with combustible material may cause fire. 
R7: May cause fire. 
R41: Risk of serious damage to the eyes. 
R37/38: Irritating to respiratory system and skin. 
R36/37/38: Irritating to eyes, respiratory system and skin. 
R62: Risk of impaired fertility. 
R50: Very toxic to aquatic organisms. 
R61: May cause harm to the unborn child.
Safety Statements: 7-17-36/37/39-37-28-26-14-14-47-61-45-53 
S7: Keep container tightly closed. 
S17: Keep away from combustible material. 
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection. 
S37: Wear suitable gloves. 
S28: After contact with skin, wash immediately with plenty of soap-suds. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S14: Keep away from ... (a list of incompatible materials will follow). 
S47: Keep at temperature not exceeding... 
S61: Avoid release to the environment. Refer to special instructions / safety data sheets. 
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) 
S53: Avoid exposure - obtain special instructions before use.
RIDADR: UN 3110 5.2
WGK Germany: 3
RTECS: SD8600000
HazardClass: 5.2
PackingGroup: II

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