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Name	3,5,5-Trimethylhexanoyl peroxide	EINECS	223-356-0
CAS No.	3851-87-4	Density	0.943 g/cm³
PSA	52.60000	LogP	4.91260
Solubility	Soluble	Melting Point	79oC
Formula	C₁₈H₃₄O₄	Boiling Point	359.5 °C at 760 mmHg
Molecular Weight	314.466	Flash Point	149.8 °C
Transport Information	N/A	Appearance	white crystals or powder
Safety		Risk Codes	R8; R36/37/38; R22; R61; R20/21/22
Molecular Structure		Hazard Symbols	O,Xi,Xn,T
Synonyms	Bis(3,5,5-trimethylhexanoyl) peroxide;Lup 219;Luperox 219;Peroyl 355;Trigonox 36;Trigonox 36C75;USP 355M;	Article Data	9

3,5,5-Trimethylhexanoyl peroxide Synthetic route

: 3302-10-1
3,5,5-trimethylhexanoic acid

: 3851-87-4
bis(3,5,5-trimethylhexanoyl) peroxide

Conditions

Conditions	Yield
With dihydrogen peroxide In pentane at 70 - 80℃; for 8h; Solvent; Temperature;	94%
With dmap; dihydrogen peroxide; dicyclohexyl-carbodiimide In dichloromethane at -5 - 0℃; for 2h; Inert atmosphere;	72%
Stage #1: 3,5,5-trimethylhexanoic acid With dmap; dihydrogen peroxide In dichloromethane at -15℃; for 0.166667h; Inert atmosphere; Stage #2: With dicyclohexyl-carbodiimide In dichloromethane at -15 - 10℃; for 1.5h; Inert atmosphere;

: 36727-29-4
isononanoyl chloride

: 3851-87-4
bis(3,5,5-trimethylhexanoyl) peroxide

Conditions

Conditions	Yield
With dihydrogen peroxide In water at 26 - 32℃;	92%
With dihydrogen peroxide; potassium hydroxide In water at 5 - 40℃; for 0.0166667h; Temperature; Flow reactor;	92.3%

: 95-16-9
1,3-Benzothiazole

: 3851-87-4
bis(3,5,5-trimethylhexanoyl) peroxide

: C15H21NS

Conditions

Conditions	Yield
With iron(III) trifluoromethanesulfonate In acetonitrile at 80℃; for 5h; Inert atmosphere; Schlenk technique; Green chemistry;	83%

: 91-63-4
2-methylquinoline

: 3851-87-4
bis(3,5,5-trimethylhexanoyl) peroxide

: 2-methyl-4-(2,4,4-trimethylpentyl)quinoline

Conditions

Conditions	Yield
With trifluorormethanesulfonic acid In acetonitrile at 80℃; for 12h; Inert atmosphere; Schlenk technique;	73%

: 827-54-3
2-Vinylnaphthalene

: 3851-87-4
bis(3,5,5-trimethylhexanoyl) peroxide

: 98-80-6
phenylboronic acid

: 2-(4,6,6-trimethyl-1-phenylheptyl)naphthalene

Conditions

Conditions	Yield
With tetrakis(actonitrile)copper(I) hexafluorophosphate; 2,6-bis[4′-isopropyloxazolin-2′-yl]pyridine; N-ethyl-N,N-diisopropylamine In tetrahydrofuran at 20℃; for 12h; Schlenk technique; Inert atmosphere;	69%

: 536-74-3
phenylacetylene

: 3851-87-4
bis(3,5,5-trimethylhexanoyl) peroxide

: C16H24O

Conditions

Conditions	Yield
Stage #1: phenylacetylene; bis(3,5,5-trimethylhexanoyl) peroxide With iron(III) trifluoromethanesulfonate In tetrahydrofuran at 60℃; for 1h; Schlenk technique; Inert atmosphere; Sealed tube; Stage #2: With trifluorormethanesulfonic acid In tetrahydrofuran at 100℃; for 12h; Schlenk technique; Inert atmosphere; Sealed tube;	68%

: 100-42-5
styrene

: 3851-87-4
bis(3,5,5-trimethylhexanoyl) peroxide

: C16H25F

Conditions

Conditions	Yield
With tris(bipyridine)ruthenium(II) dichloride hexahydrate; copper diacetate; triethylamine tris(hydrogen fluoride) In 1,2-dichloro-ethane at 20℃; for 24h; Schlenk technique; Inert atmosphere; Irradiation;	60%

: 3851-87-4
bis(3,5,5-trimethylhexanoyl) peroxide

A: 540-84-1
2,2,4-trimethylpentane

B: 16325-63-6
2,4,4-trimethylpentan-1-ol

C: 72493-27-7
2,2,4,7,9,9-hexamethyldecane

D: 3302-10-1
3,5,5-trimethylhexanoic acid

E: 94376-47-3
bis(3,5,5-trimethylhexanoic) anhydride

F: 2,4,4-trimethylpentyl 3,5,5-trimethylhexanoate

Conditions

Conditions	Yield
With pentadecane at 80℃; under 750060 Torr; Product distribution; Rate constant; Thermodynamic data; var. of temp., pressure, solvent, EA, ΔV(excit.);	A 0.625 mol B 0.009 mol C 0.394 mol D 0.038 mol E 0.005 mol F 0.126 mol

...Expand

: 3851-87-4
bis(3,5,5-trimethylhexanoyl) peroxide

A: 3302-10-1
3,5,5-trimethylhexanoic acid

B: 2,4,4-trimethylpentyl 3,5,5-trimethylhexanoate

Conditions

Conditions	Yield
With 2-methylundecane In acetonitrile at 70℃; under 1500120 Torr; for 16h; Rate constant; Thermodynamic data; Kinetics; var. of solvent, temp., pressure, without additive, EA, ΔV(excit.);

: 3851-87-4
bis(3,5,5-trimethylhexanoyl) peroxide

A: 2,4,4-trimethylpentyl radical

B: 3,5,5-trimethylhexanoyloxyl radical

Conditions

Conditions	Yield
With 5,5-Dimethyl-1-pyrroline N-oxide In benzene at 39.85℃; Product distribution; Further Variations:; Temperatures; Reagents; Decomposition;

3,5,5-Trimethylhexanoyl peroxide Chemical Properties

IUPAC Name: 3,5,5-Trimethylhexanoyl 3,5,5-trimethylhexaneperoxoate
Empirical Formula: C₁₈H₃₄O₄
Molecular Weight: 314.4602
Einecs: 223-356-0
Freely Rotating Bonds: 11
Polar Surface Area: 52.6Å²
Index of Refraction: 1.445
Molar Refractivity: 88.83 cm³
Molar Volume: 333.4 cm³
Polarizability: 35.21 ×10^-24cm³
Surface Tension: 30.3 dyne/cm
Density: 0.942 g/cm³
Flash Point: 149.8 °C
Enthalpy of Vaporization: 60.51 kJ/mol
Boiling Point: 359.5 °C at 760 mmHg
Vapour Pressure: 2.37E-05 mmHg at 25°C
The Cas Register Number of Peroxide,bis(3,5,5-trimethyl-1-oxohexyl) is 3851-87-4.The chemical synonyms of Peroxide,bis(3,5,5-trimethyl-1-oxohexyl) (CAS NO.3851-87-4) are Bis(3,5,5-trimethylhexanoyl) peroxide .The molecular structure of Peroxide,bis(3,5,5-trimethyl-1-oxohexyl) (CAS NO.3851-87-4) is
.

3,5,5-Trimethylhexanoyl peroxide Uses

Peroxide,bis(3,5,5-trimethyl-1-oxohexyl) (CAS NO.3851-87-4) is used in organic synthesis.

3,5,5-Trimethylhexanoyl peroxide Safety Profile

RIDADR: 3106
HazardClass: 5.2
PackingGroup: II

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