ChemicalBook--->CAS DataBase List--->110-05-4

110-05-4

110-05-4 Structure

110-05-4 Structure
IdentificationMore
[Name]

Di-tert-butyl peroxide
[CAS]

110-05-4
[Synonyms]

BIS(1,1-DIMETHYLETHYL)PEROXIDE
DIBUTYLPEROXIDE
DI-T-BUTYL PEROXIDE
DI-TERT-BUTYL PEROXIDE
DI-TERTIARY-BUTYL PEROXIDE
DTBP
T-BUTYL PEROXIDE
TERT-BUTYL PEROXIDE
(tert-C4H9O)2
(tributyl)peroxide
2-(tert-Butylperoxy)-2-methylpropane
Aztec di-t-butyl peroxoide
bis(1,1-dimethylethyl)-peroxid
bis(t-butyl)peroxide
Bis(tert-butyl) peroxide
bis(tert-butyl)peroxide
Cadox
Cadox tbp
cadoxtbp
dibutylperoxide(non-specificname)
[EINECS(EC#)]

203-733-6
[Molecular Formula]

C8H18O2
[MDL Number]

MFCD00008803
[Molecular Weight]

146.23
[MOL File]

110-05-4.mol
Chemical PropertiesBack Directory
[Appearance]

colourless liquid
[Melting point ]

-30 °C
[Boiling point ]

109-110 °C(lit.)
[density ]

0.796 g/mL at 25 °C(lit.)
[vapor pressure ]

40 mm Hg ( 20 °C)
[refractive index ]

n20/D 1.3891(lit.)
[Fp ]

34 °F
[storage temp. ]

2-8°C
[solubility ]

0.063g/l
[form ]

Liquid
[color ]

Clear
[Odor]

distinctive odor
[Stability:]

May decompose explosively if heated, subjected to shock, or treated with reducing agents. Highly flammable. Refrigerate.
[Water Solubility ]

immiscible
[Merck ]

3461
[BRN ]

1735581
[Henry's Law Constant]

8.2×10-4 mol/(m3Pa) at 25℃, HSDB (2015)
[InChI]

1S/C8H18O2/c1-7(2,3)9-10-8(4,5)6/h1-6H3
[InChIKey]

LSXWFXONGKSEMY-UHFFFAOYSA-N
[SMILES]

CC(C)(C)OOC(C)(C)C
[LogP]

3.2 at 22℃
[CAS DataBase Reference]

110-05-4(CAS DataBase Reference)
[NIST Chemistry Reference]

Di-tert-butyl peroxide(110-05-4)
[EPA Substance Registry System]

110-05-4(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)Health Hazard (GHS08)
GHS02,GHS08
[Signal word ]

Danger
[Hazard statements ]

H225-H242-H341-H412
[Precautionary statements ]

P210-P220-P273-P280-P410-P411+P235
[Hazard Codes ]

O,F
[Risk Statements ]

R7:May cause fire.
R11:Highly Flammable.
[Safety Statements ]

S14:Keep away from ... (incompatible materials to be indicated by the manufacturer) .
S16:Keep away from sources of ignition-No smoking .
S3/7:Keep container tightly closed in a cool place .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[RIDADR ]

UN 3107 5.2
[WGK Germany ]

1
[RTECS ]

ER2450000
[Autoignition Temperature]

182 °C
[TSCA ]

TSCA listed
[REACH Registrations]

Active
[HazardClass ]

5.2
[PackingGroup ]

II
[HS Code ]

29096000
[Storage Class]

5.2 - Organic peroxides and self-reacting hazardous materials
[Hazard Classifications]

Aquatic Chronic 3
Flam. Liq. 2
Muta. 2
Org. Perox. E
[Hazardous Substances Data]

110-05-4(Hazardous Substances Data)
[Toxicity]

LD50 orally in Rabbit: > 25000 mg/kg
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Hydrogen peroxide-->tert-Butanol-->tert-Butyl hydroperoxide
[Preparation Products]

(4-Methoxy-pyridin-2-yl)-methanol-->4-Methoxypicolinaldehyde-->CH3-->4-Fluoro-2-methylbenzoic acid-->[1-(4-Bromo-phenyl)-ethyl]-carbamic acid tert-butyl ester-->4-trans-propenylveratrole-->N-(tert-Butoxycarbonyl)-3-bromoaniline-->tert-Butyl 4-cyanophenylcarbamate-->Methyl 2-nitrobenzoate-->1-Methylcaffeine-->4-bromo-2,6-dimethylbenzoic acid-->4-Methyl-benzoic acid tert-butyl ester-->4-Fluorothioanisole-->3-Bromothioanisole-->2-Methylthiopyridine-->2,3-Epoxy-2-methylbutane-->4-Bromophenyl methyl sulfone
Hazard InformationBack Directory
[General Description]

Clear colorless liquid.
[Reactivity Profile]

The explosive instability of the lower dialkyl peroxides (e.g., dimethyl peroxide) and 1,1-bis-peroxides decreases rapidly with increasing chain length and degree of branching, the di-tert-alkyl derivatives being amongst the most stable class of peroxides. Though many 1,1-bis-peroxides have been reported, few have been purified because of the higher explosion hazards compared with the monofunctional peroxides. DI-TERT-BUTYL PEROXIDE is unlikely that this derivative would be particularly unstable compared to other peroxides in it's class, Bretherick 1979v.
[Description]

Ditertiary butyl peroxide is a clear, water-white liquid. It has a specific gravity of 0.79, which is lighter than water, and it will float on the surface. It is nonpolar and insoluble in water. Ditertiary butyl peroxide is a strong oxidizer and may ignite organic materials or explode if shocked or in contact with reducing agents. In addition to being an oxidizer, ditertiary butyl peroxide is highly flammable. It has a boiling point of 231°F (110°C) and a flash point of 65°F (18°C). The NFPA 704 designation is health 3, flammability 2, and reactivity 4. The prefix “oxy” for oxidizer is placed in the white section at the bottom of the 704 diamond.
[Chemical Properties]

colourless liquid
[Uses]

Luperox?DI, tert-Butyl peroxide has been used as a radical initiator to induce free radical polymerization. It has also been used as a cetane enhancer in a study to determine the phase behavior of carboxylate-based extended surfactant reverse micellar microemulsions with ethanol and vegetable oil/diesel blends.
[Uses]

As polymerization catalyst.
[Uses]

Di-t-butyl peroxide (DTBP) is used as apolymerization catalyst.
[Synthesis Reference(s)]

Tetrahedron, 36, p. 2409, 1980 DOI: 10.1016/0040-4020(80)80219-5
[Health Hazard]

DTBP is slightly toxic by inhalation andin general exhibits low to very low toxicityby other routes. However, toxic effectsare observed only at very high concentrations.Rats exposed to 4103-ppm vapor developedhead and neck tremor after 10 minutesof exposure (Floyd and Stockinger 1958).Other symptoms were weakness, hyperactivity,and labored breathing. However, theanimals recovered fully in 1 hour.
LD50 value, intraperitoneal rats): 3210 mg/kg
DTBP is nonirritating to the skin and mildon the eyes. It is reported to cause lungand blood tumors in mice (NIOSH 1986).However, its carcinogenicity is not yet fullyestablished.
[Fire Hazard]

Highly flammable and reactive; flash point 18°C (64.4°F); vapor pressure 19.5 torr at 20°C (68°F); vapor density 5.03. Its decomposition products are ethane and acetone, which enhance the fire hazard. Use a water spray to fight fire and to keep the containers cool.
DTBP forms an explosive mixture with air. The explosive range is not reported. Its decomposition products may explode above its boiling point, 111°C (231.8°F). However, as it is thermally stable and shock insensitive, its explosion hazard is much lower. It may, however, react with explosive violence when in contact with easily oxidizable substances.
[Flammability and Explosibility]

Flammable
[reaction suitability]

reagent type: oxidant
[Carcinogenicity]

A single exposure (route unspecified, but probably subcutaneous (SC)) of 14.6 mg (~365 mg/kg) produced unconvincing evidence for carcinogenicity owing to the lack of controls in 50 mice observed for more than 80 weeks. Of 35 survivors, 7 (20%) had malignant blood tumors (lymphomas) and 1 had a benign lung tumor (pulmonary adenoma) (93, 7a). Owing to its poor design, this study should be judged inadequate to determine carcinogenicity.
[storage]

Store in a cool and well-ventilated areaisolated from easily oxidizable materials.Protect against physical damage. Shippingcontainers are amber glass and polyethylenebottles or steel drums not exceeding 100-lbcapacity.
[Purification Methods]

Wash the peroxide with aqueous AgNO3 to remove olefinic impurities, water and dry (MgSO4). Free it from tert-butyl hydroperoxide by passage through an alumina column [Jackson et al. J Am Chem Soc 107 208 1985], and if necessary two high vacuum distillations from room temperature to a liquid-air trap [Offenbach & Tobolsky J Am Chem Soc 79 278 1957]. [Beilstein 1 IV 1619.] The necessary protection from EXPLOSION should be used.
[Waste Disposal]

DTBP is disposed on the ground in a remotearea and ignited with a long torch. 10%NaOH may be used to wash empty containers.
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

di-tert-butyl peroxide(110-05-4).msds
Spectrum DetailBack Directory
[Spectrum Detail]

Di-tert-butyl peroxide(110-05-4)Raman
Di-tert-butyl peroxide(110-05-4)FT-IR
Di-tert-butyl peroxide(110-05-4)IR
Di-tert-butyl peroxide(110-05-4)ESR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Di-tert-butyl peroxide, 99%(110-05-4)
[Sigma Aldrich]

110-05-4(sigmaaldrich)
[TCI AMERICA]

Di-tert-butyl Peroxide,>94.0%(GC)(110-05-4)
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