CAS No.78-63-7,2,5-Dimethyl-2,5-di(tert-butylperoxy)hexane Suppliers

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Basic Information

Molecular Structure:
CAS No.:	78-63-7
Name:	2,5-Dimethyl-2,5-di(tert-butylperoxy)hexane
Article Data:	9

Formula:	C₁₆H₃₄O₄
Molecular Weight:	290.444
Synonyms:	DBPH-PAR 100;Dual 25;HC 4 (peroxide);Interox DHBP;Interox DHBP 45IC/G;Kayahexa AD 40;Peroxide,(1,1,4,4-tetramethyl-1,4-butanediyl)bis[(1,1-dimethylethyl) (9CI);(1,1,4,4-Tetramethyltetramethylene)bis(tert-butyl peroxide);101XL;2,5-Bis(tert-butylperoxy)-2,5-dimethylhexane;2,5-Di(tert-butylperoxy)-2,5-dimethylhexane;2,5-Dimethyl-2,5-bis(tert-butylperoxy)hexane;2,5-Dimethyl-2,5-di(tert-butylperoxy)hexane;2,5-Dimethyl-di(tert-butyl)peroxyhexane;2,5-Methyl-2,5-di(tert-butylperoxy)hexane;25B40;Trigonox 101E10;Trigonox 101E5;Varox 50;DBPH 50;Varox;Trigonox XQ 8;VaroxDBPH;Varox DBPH 50EZD;Varox Liquid;Yinox 101;AD;APO 10DL;APO 40S;C 15 (peroxide);Kayahexa AD 40C;L 101;LX 101;Luperox 101;Luperox 101XL45;Lupersol L 101;NSC 38203;Perhexa 2.5B;Perhexa 25B;Perhexa 25B40;RC 4 (peroxide);RC 450P;RC8;RPZ 101;TC 8;Trigonox 101;Trigonox 101-40D;Trigonox 101-45B-PD;
EINECS:	201-128-1
Density:	0.912 g/cm³
Melting Point:	6 °C
Boiling Point:	306.5 °C at 760 mmHg
Flash Point:	106.1 °C
Solubility:	immiscible with water
Appearance:	colourless to light yellow liquid
Hazard Symbols:	O, Xi, Xn
Risk Codes:	8-36/37/38-7-36/38-10-41-37/38
Safety:	7-17-36/37/39-3/7-26-14A-47-14
Transport Information:	UN 3108 5.2
PSA:	36.92000
LogP:	4.81720

Synthetic route

: 3025-88-5
2,5-dimethyl-2,5-dihydroperoxyhexane

: 75-65-0
tert-butyl alcohol

: 78-63-7
2,5-dimethyl-2,5-bis(tert-butylperoxy)hexane

Conditions

Conditions	Yield
With spherical polyvinyl alcohol complex amino acid C In pentane at 70 - 80℃; for 8h; Reagent/catalyst;	94.3%
With sulfuric acid In water at 40 - 45℃; for 2h; Industry scale;
With sulfuric acid at 50℃; Temperature;
With sulfuric acid In water; tert-butyl alcohol at 15 - 40℃; for 4.33333h;

: 694-59-7
pyridine N-oxide

: 78-63-7
2,5-dimethyl-2,5-bis(tert-butylperoxy)hexane

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 37% B 10%

...Expand

Raw Materials

75-65-0

3025-88-5

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Chemistry

Molecule structure of 2,5-Dimethyl-2,5-di(tert-butylperoxy)hexane (CAS NO.78-63-7):

IUPAC Name: 2,5-Bis(tert-butylperoxy)-2,5-dimethylhexane
Molecular Weight: 290.43876 g/mol
Molecular Formula: C₁₆H₃₄O₄
Density: 0.912 g/cm³
Melting Point: 6 °C
Boiling Point: 306.5 °C at 760 mmHg
Flash Point: 106.1 °C
Index of Refraction: 1.434
Molar Refractivity: 83.01 cm³
Molar Volume: 318.2 cm³
Polarizability: 32.91×10^-24 cm³
Surface Tension: 27.3 dyne/cm
Enthalpy of Vaporization: 52.52 kJ/mol
Vapour Pressure: 0.00139 mmHg at 25 °C
Storage Temp.: indoors
Water Solubility: immiscible
XLogP3-AA: 3.9
H-Bond Acceptor: 4
Rotatable Bond Count: 9
Exact Mass: 290.24571
MonoIsotopic Mass: 290.24571
Topological Polar Surface Area: 36.9
Heavy Atom Count: 20
Complexity: 252
Canonical SMILES: CC(C)(C)OOC(C)(C)CCC(C)(C)OOC(C)(C)C
InChI: InChI=1S/C16H34O4/c1-13(2,3)17-19-15(7,8)11-12-16(9,10)20-18-14(4,5)6/h11-12H2,1-10H3
InChIKey: DMWVYCCGCQPJEA-UHFFFAOYSA-N
EINECS: 201-128-1
Product Categories: Organics

Uses

2,5-Dimethyl-2,5-di(tert-butylperoxy)hexane (CAS NO.78-63-7) is used as the initiator, and polymer degradation agent, silicone rubber, polyurethane rubber, ethylene propylene rubber and other rubber vulcanization agent.

Toxicity Data With Reference

ipr-mus LDLo:1700 mg/kg

BSPII* SPI Bulletin. (Society of the Plastics Industry, 250 Park Ave., New York, NY 10017) 1/75-19B .

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Hazard Codes: Oxidizing O, Harmful Xn, Irritant Xi
Risk Statements: 8-36/37/38-7-36/38-10-41-37/38
R8 :Contact with combustible material may cause fire.
R36/37/38:Irritating to eyes, respiratory system and skin.
R7:May cause fire.
R36/38:Irritating to eyes and skin.
R10:Flammable.
R41:Risk of serious damage to the eyes.
R37/38:Irritating to respiratory system and skin.
Safety Statements: 7-17-36/37/39-3/7-26-14A-47-14
S7:Keep container tightly closed.
S17:Keep away from combustible material.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
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...
RIDADR: UN 3108 5.2
WGK Germany: 1
RTECS: MO1835000
HazardClass: 5.2
PackingGroup: II
Moderately toxic by intraperitoneal route. Combustible when exposed to heat, flames, or reducing agents. To fight fire, use water spray, foam, dry chemical. When heated to decomposition it emits acrid smoke and irritating fumes. Used in the polymerization of styrene and in cross-linking of various grades of polyethylene. See also PEROXIDES, ORGANIC.

Specification

2,5-Dimethyl-2,5-di(tert-butylperoxy)hexane (CAS NO.78-63-7) is also named as 1,4,4-Tetramethyltetramethylene)bis(tert-butyl peroxide) ; 5-Bis(tert-butyldioxy)-2,5-dimethylhexane ; 2,5-Dimethyl-2,5-bis(tert-butyldioxy)hexane ; 2,5-Dimethyl-2,5-di(t-butylperoxy)hexane ; 2,5-Dimethyl-2,5-di-(tert-butylperoxy)hexane ; AD ; AD 40C ; BRN 1863369 ; CCRIS 4626 ; CR 05 ; CT 8 (crosslinking agent) ; HC 4 (peroxide) ; Hexane, 2,5-dimethyl-2,5-di(tert-butylperoxy)- ; Interox ; DHBP ; Interox DHBP 45IC/G ; Kayahexa AD ; Kayahexa AD 40 ; Kayahexa AD 40C ; Luperco 101X45 ; Peroxide, (1,1,4,4-tetramethyl-1,4-butanediyl)bis((1,1-dimethylethyl) ; Trigonox 101 ; Trigonox 101-101/45 ; Trigonox XQ 8 ; Triqanox XQ 8 ; Varox ; Varox 50 ; Varox DBPH 50 ; Varox Liquid . 2,5-Dimethyl-2,5-di(tert-butylperoxy)hexane (CAS NO.78-63-7) is colourless to light yellow liquid and insoluble in water. 2,5-Dimethyl-2,5-di(tert-butylperoxy)hexane (CAS NO.78-63-7) is unstable and may contain an inhibitor. It is incompatible with strong oxidizing agents, acids, reducing agents, organic materials, powdered metals. Peroxides, such as 2,5-Dimethyl-2,5-di(tert-butylperoxy)hexane (CAS NO.78-63-7), are good oxidizing agents. Strongly reduced material such as sulfides, nitrides, and hydrides may react explosively with peroxides. There are few chemical classes that do not at least produce heat when mixed with peroxides. Many produce explosions or generate gases (toxic and nontoxic). Generally, dilute solutions of peroxides (<70%) are safe, but the presence of a catalyst (often a transition metal such as cobalt, iron, manganese, nickel, or vanadium) as an impurity may even then cause rapid decomposition, a buildup of heat, and even an explosion. Solutions of peroxides often become explosive when evaporated to dryness or near-dryness. Danger of explosion when dry. It may explode from heat, shock, friction or contamination. It may ignite combustibles (wood, paper, oil, clothing, etc.) and may be ignited by heat, sparks or flames.