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107-39-1 Usage

Chemical Properties

colourless liquid

Uses

Different sources of media describe the Uses of 107-39-1 differently. You can refer to the following data:
1. Organic synthesis; motor-fuel synthesis, particularly isooctane; peroxide reactions.
2. 2,4,4-Trimethyl-1-pentene is used in the manufacturing of chemicals, adhesives, sealant chemicals, fuels and fuel additives.

Definition

Mixture of isomers.

General Description

2,4,4-Trimethyl-1-pentene is a α-alkene. It is the main dimeric product of isobutene. Ozonolysis of 2,4,4-trimethyl-1-pentene has been investigated in a flow reactor under pseudo-first-order conditions. Hydrocracking (HCG) of 2,4,4-trimethyl-1-pentene has been employed as a model test reaction to investigate the catalytic functionalities of sulfided CoMo catalysts. Liquid phase oxidation of 2,4,4-trimethyl-1-pentene with molecular xygen afforded epoxides and hydrogen peroxides.

Hazard

Flammable, dangerous fire risk.

Health Hazard

Recommended Personal Protective Equipment: Protective goggles; Symptoms Following Exposure: Low general toxicity; may act as simple asphyxiate in high vapor concentrations; General Treatment for Exposure: INHALATION: remove from exposure; support respiration; Toxicity by Inhalation (Threshold Limit Value): Data not available; Short-Term Exposure Limits: Data not available; Toxicity by Ingestion: Data not available; Late Toxicity: Liver and kidney damage in exp. animals; Vapor (Gas) Irritant Characteristics: Vapors are nonirritating to the eyes and throat; Liquid or Solid Irritant Characteristics: Minimum hazard. If spilled on clothing and allowed to remain, may cause smarting and reddening of the skin; Odor Threshold: Data not available.

Chemical Reactivity

Reactivity with Water No reaction; Reactivity with Common Materials: No reaction; Stability During Transport: Stable; Neutralizing Agents for Acids and Caustics: Not pertinent; Polymerization: Not pertinent; Inhibitor of Polymerization: Not pertinent.

Check Digit Verification of cas no

The CAS Registry Mumber 107-39-1 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 1,0 and 7 respectively; the second part has 2 digits, 3 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 107-39:
(5*1)+(4*0)+(3*7)+(2*3)+(1*9)=41
41 % 10 = 1
So 107-39-1 is a valid CAS Registry Number.
InChI:InChI=1/C8H16/c1-4-5-6-7-8(2)3/h4,8H,1,5-7H2,2-3H3

107-39-1 Well-known Company Product Price

  • Brand
  • (Code)Product description
  • CAS number
  • Packaging
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  • Detail
  • Alfa Aesar

  • (B20187)  2,4,4-Trimethyl-1-pentene, 99%   

  • 107-39-1

  • 25g

  • 545.0CNY

  • Detail
  • Alfa Aesar

  • (B20187)  2,4,4-Trimethyl-1-pentene, 99%   

  • 107-39-1

  • 100g

  • 1404.0CNY

  • Detail

107-39-1SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 10, 2017

Revision Date: Aug 10, 2017

1.Identification

1.1 GHS Product identifier

Product name 2,4,4-Trimethyl-1-Pentene

1.2 Other means of identification

Product number -
Other names 1-Pentene, 2,4,4-trimethyl-

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Adhesives and sealant chemicals,Fuels and fuel additives,Intermediates
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:107-39-1 SDS

107-39-1Synthetic route

tert-butyl alcohol
75-65-0

tert-butyl alcohol

2,4,4-trimethyl-1-pentene
107-39-1

2,4,4-trimethyl-1-pentene

Conditions
ConditionsYield
With sulfuric acid at 95℃; for 4h; Temperature; Sealed tube;95%
2-methyl-propan-1-ol
78-83-1

2-methyl-propan-1-ol

2,4,4-trimethyl-1-pentene
107-39-1

2,4,4-trimethyl-1-pentene

Conditions
ConditionsYield
With sulfuric acid at 95℃; for 5h; Temperature; Sealed tube;95%
isobutene
115-11-7

isobutene

2,4,4-trimethyl-1-pentene
107-39-1

2,4,4-trimethyl-1-pentene

Conditions
ConditionsYield
With tert-butyl alcohol; sulfonic acid resin catalyst In 2,2,4-trimethylpentane at 65℃; Continuous process;
With tert-butyl alcohol; sulfonic acid resin Product distribution / selectivity;
Purolite CT-275; tert-butyl alcohol at 65.5456 - 109.99℃; under 16274.9 Torr; for 3600h; Product distribution / selectivity;
With Amberlyst 35 ion exchange resin at 49.84 - 109.84℃; under 15001.5 Torr; for 5h; Autoclave;
With Zr/H-ZSM-5 at 50℃; under 15001.5 Torr; for 2.5h; Reagent/catalyst;
glycerol
56-81-5

glycerol

isobutene
115-11-7

isobutene

A

2,4,4-trimethyl-1-pentene
107-39-1

2,4,4-trimethyl-1-pentene

B

3-(tert-butoxy)propane-1,2-diol
74338-98-0

3-(tert-butoxy)propane-1,2-diol

C

1,3-di-tert-buthyl glycerol ether
79808-30-3

1,3-di-tert-buthyl glycerol ether

D

tri-tert-butyl glycerol ether
92867-55-5

tri-tert-butyl glycerol ether

Conditions
ConditionsYield
With Amberlyst 15TM 0.4M Na+-exchange at 75℃; under 3750.38 - 7500.75 Torr; for 6h; Inert atmosphere; Autoclave;
isobutene
115-11-7

isobutene

A

2,4,4-trimethyl-1-pentene
107-39-1

2,4,4-trimethyl-1-pentene

B

1,1-dineopentylethylene
141-70-8

1,1-dineopentylethylene

C

2,4,4-trimethylpent-2-ene
107-40-4

2,4,4-trimethylpent-2-ene

D

2,2,4,6,6-pentamethyl-3-heptene
123-48-8

2,2,4,6,6-pentamethyl-3-heptene

Conditions
ConditionsYield
With zeolite HNaY at 100℃; further temperatures, further zeolites; Yield given. Further byproducts given. Yields of byproduct given. Title compound not separated from byproducts;
With tricaprylylmethylammonium chloride; C13H25N2O3S(1+)*HO4S(1-) In cyclohexane at 140℃; for 8h; Reagent/catalyst; Pressure; Time; Temperature; Autoclave;

107-39-1Related news

Full Length ArticleKinetics of H abstraction and addition reactions of 2,4,4-TRIMETHYL-1-PENTENE (cas 107-39-1) by OH radical08/21/2019

The rate coefficients of H abstraction and OH addition reactions of 2,4,4-trimethyl-1-pentene with OH were determined by both canonical variational transition state theory and conventional transition state theory. The potential energy surfaces were calculated at CCSD(T)/6-311++G(d, p)//BHANDHLYP...detailed

Full Length ArticleExperimental and kinetic modeling study on 2,4,4-TRIMETHYL-1-PENTENE (cas 107-39-1) ignition behind reflected shock waves08/20/2019

Experiments of ignition delay times on 2,4,4-trimethyl-1-pentene were performed behind reflected shock waves at pressure ranging from 2 atm to 10 atm, at equivalence ratios from 0.5 to 2.0, and with fuel concentrations of 0.5%, 0.75% and 1%. All ignition delay times follow the Arrhenius rule, an...detailed

107-39-1Relevant articles and documents

McLain et al.

, p. 3519 (1977)

THE INFLUENCE OF INTERLAYER WATER ON CLAY CATALYSTS. INTERLAMELLAR CONVERSION OF 2-METHYLPROPENE

Ballantine, James A.,Jones, William,Purnell, J. Howard,Tennakoon, Dayananda T. B.,Thomas, John M.

, p. 763 - 766 (1985)

Evidence is provided for two alternative pathways for the reactions undergone by 2-methylpropene between the layers of a sheet silicate catalyst (Al3+-exchanged montmorillonite).This clay, when it initially contains ca. 12percent interlayer water, catalyses the addition of either water or methanol to 2-methylpropene to yield, respectively, t-butanol or 2-methoxy-2-methyl propane (methyl tertiary butyl ether, MTBE), whereas the same clay following deliberate dehydration acts as an effective catalyst for the oligomerisation of 2-methylpropene.Similar results are obtained with an Al3+-exchanged synthetic hectorite.

Selective and unexpected transformations of 2-methylpropane to 2,3-dimethylbutane and 2-methylpropene to 2,3-dimethylbutene catalyzed by an alumina-supported tungsten hydride

Merle, Nicolas,Stoffelbach, Francois,Taoufik, Mostafa,Le Roux, Erwan,Thivolle-Cazat, Jean,Basset, Jean-Marie

, p. 2523 - 2525 (2009)

2-Methylpropane and 2-methylpropene, in the presence of the W(H) 3/Al2O3 catalyst, are unexpectedly transformed to 2,3-dimethylbutane and 2,3-dimethylbutenes, respectively, with high selectivity; in case of 2-methylpropane

THERMISCHER ZERFALL VON Β-PHENYL UND Β,Β-DIPHENYL-NITROALKANEN

Fritzsche, Katharina,Beckhaus, Hans-Dieter,Ruechardt, Christoph

, p. 2805 - 2808 (1988)

Elimination of nitrous acid is the exclusive reaction path for the thermal decomposition of the nitroalkanes 1, 2 and 5.Homolytic CC-cleavage cannot compete.A concerted β-elimination is the favoured mechanism.

Sulfated SnO2 as a high-performance catalyst for alkene oligomerization

Yurkova, L. L.,Lermontov, S. A.,Kazachenko, V. P.,Ivanov, V. K.,Lermontov, A. S.,Baranchikov, A. E.,Vasil'Eva, L. P.

, p. 1012 - 1019,8 (2012)

Nanoparticulate (3-5 nm) sulfated tin dioxide shows high catalytic activity for the oligomerization of isobutylene, hexene-1, and cyclohexene. The acidity (Hammett acidity function H0) of sulfated stannia reaches H 0 = -16.04. We have studied the effect of synthesis conditions on the physicochemical and functional properties of sulfated SnO2.

-

Brown,Moritani

, p. 2203,2209 (1956)

-

Hoffmann et al.

, p. 639,644 (1964)

The competitive reactions between electron transfer and radical addition in free radical reactions

Wu, Yuh-Wern,Lu, Cheng-Yi

, p. 1129 - 1134 (2001)

The photolytic reactions of 2-substituted allyl chloride with t-BuHgCl in different solvents were investigated. The reactions proceed the SH2′ reaction mechanism except the substituent is a strong electron-releasing group. The electron transfer process becomes more competitive with the radical addition process when the substituent is a strong electron-releasing group. When the substituent is a strong electron-releasing group such as -CH2SiMe3, the reaction in CH3CN shows pronounced electron transfer process while the reaction in DMSO or THF involves both of the SH2′ and the electron transfer processes. The reaction is solvent dependent. An electron transfer mechanism is discussed.

Fluorinated metal oxide-assisted oligomerization of olefins

Lermontov, Sergey A.,Malkova, Alena N.,Yurkova, Lyudmila L.,Ivanov, Vladimir K.,Baranchikov, Alexander E.,Vasilyeva, Larisa P.

, p. 110 - 112 (2013)

Fluorinated alumina is an efficient catalyst for hex-1-ene, cyclohexene and isobutene oligomerization, whereas fluorinated titania and zirconia are inactive.

Coke Formation and Its Effects on Shape Selective Adsorptive and Catalytic Properties of Ferrierite

Xu, Wen-Qing,Yin, Yuan-Gen,Suib, Steven L.,O'Young, Chi-Lin

, p. 758 - 765 (1995)

Channels or cavities of ferrierite are blocked by carbonaceous deposits (coke) which are formed during butene treatments.The pore blocking inside ferrierite/alumina catalysts affects the yield and selectivity to isobutylene in the catalytic reaction of butene isomerization.Pore size distribution experiments show that the blocking of 10-member ring channels (4.2 x 5.4 Angstroem) and 8-member ring channels (3.5 x 4.8 Angstroem) of ferrierite by coke reduces the channel size smaller than that of the nitrogen molecule (4.09 Angstroem).TPD data show that ammonia uptake for coked samples of different times on stream is decreased from about 62percent to 35percent of that for the fresh sample.This suggests that channels in coked ferrierites are at least larger than the size of the ammonia molecule (2 Angstroem).Uptakes for more bulky molecules such as 1-butene (2.99 x 4.71 Angstroem) and isobutylene (3.28 x 4.14 Angstroem) are severely reduced by coke formation ( +(XL), H+(L), and H+(S) (XL = extra large, L = large, S = small) from a structural point of view.These three kinds of acid sites were successfully probed with ammonia, 1-butene, and isobutylene.These experiments suggest that the adsorption of probe molecules on ferrierite is also a shape selective process.

C-C bond cleavage in oxidation of aliphatic hydrocarbons under mild conditions in the Vv/H2O2/AcOH system

Gekhman,Stolyarov,Ershova,Moiseeva,Moiseev

, p. 150 - 153 (2001)

-

-

Dolliver et al.

, p. 831,832 (1937)

-

Screening of solid acid catalysts for etherification of glycerol with isobutene under identical conditions

Bozkurt, ?zge Deniz,Ba?lar, Nur,?elebi, Serdar,Uzun, Alper

, p. 483 - 494 (2020)

We compared the performance of more than 70 solid acid catalysts with Br?nsted acid function for the etherification of glycerol with isobutene under identical reaction conditions of 75 °C, 10 bar, 6 h and with an isobutene/glycerol molar ratio of 3/1. The catalysts were selected from a wide range of solid acid catalysts including ion exchange resins, zeolites, silica, and heteropolyacids, and their counterparts modified by simple treatments, with more than half of them being investigated for the first time for this reaction. For the modified commercial acid catalysts, the desired glycerol tertiary butyl ether (DTBGE and TTBGE) selectivity improved from 75 to 87 wt% upon partial cation exchange of the sulfonic acid protons in Amberlyst type ion exchange resins with Na+ cations; from 66 to 85 wt% by hydrothermal steam treatment of zeolite H-Y (SiO2/Al2O3 = 80); and from 75 to 80 wt% with partial La+-exchange of zeolite H-Beta (SiO2/Al2O3 = 300), all at high (90–100%) glycerol conversion. Impregnation of the heteropolyacids, tungstosilicic acid (TSA) and tungstophosphoric acid (TPA), on silica at a loading of 50 wt% provided a glycerol conversion of higher than 65 wt% and with a desired ether selectivity in the range of 62 to 76 wt%. In general, total ether selectivity increased with decreasing acid capacity for ion exchange resins, while the desired ether selectivity was enhanced with increasing acid strength for zeolites and supported heteropolyacids on mesoporous silica. Data present a detailed guideline for the selection of solid acid catalysts for the etherification of glycerol with isobutene.

Unique mesoporous silicoaluminophosphate assembled from faujasite-type SAPO-37 precursor: A potential catalyst for isomerization

Yadav, Rekha,Singh, Arvind Kumar,Sakthivel, Ayyamperumal

, p. 1160 - 1162 (2013)

Unique mesoporous silicoaluminophosphate (MESO-SAPO-37) with uniform pores (3 nm) was synthesized for the first time by using a faujasite-type microporous SAPO-37 precursor. MESO-SAPO-37 contains hierarchical mesopores with a microporous secondary building unit. It possesses strong acidity and shows high catalytic activity for the conversion of 1-octene, with the exclusive formation of isomerized products (84%).

Identification of the strong Br?nsted acid site in a metal–organic framework solid acid catalyst

Trickett, Christopher A.,Osborn Popp, Thomas M.,Su, Ji,Yan, Chang,Weisberg, Jonathan,Huq, Ashfia,Urban, Philipp,Jiang, Juncong,Kalmutzki, Markus J.,Liu, Qingni,Baek, Jayeon,Head-Gordon, Martin P.,Somorjai, Gabor A.,Reimer, Jeffrey A.,Yaghi, Omar M.

, p. 170 - 176 (2019)

It remains difficult to understand the surface of solid acid catalysts at the molecular level, despite their importance for industrial catalytic applications. A sulfated zirconium-based metal–organic framework, MOF-808-SO4, was previously shown to be a strong solid Br?nsted acid material. In this report, we probe the origin of its acidity through an array of spectroscopic, crystallographic and computational characterization techniques. The strongest Br?nsted acid site is shown to consist of a specific arrangement of adsorbed water and sulfate moieties on the zirconium clusters. When a water molecule adsorbs to one zirconium atom, it participates in a hydrogen bond with a sulfate moiety that is chelated to a neighbouring zirconium atom; this motif, in turn, results in the presence of a strongly acidic proton. On dehydration, the material loses its acidity. The hydrated sulfated MOF exhibits a good catalytic performance for the dimerization of isobutene (2-methyl-1-propene), and achieves a 100% selectivity for C8 products with a good conversion efficiency.

HYDROTHERMAL PRODUCTION OF ALKANES

-

Paragraph 0022, (2021/04/17)

Synthesizing an alkane includes heating a mixture including an alkene and water at or above the water vapor saturation pressure in the presence of a catalyst and one or both of hydrogen and a reductant, thereby hydrogenating the alkene to yield an alkane and water, and separating the alkane from the water to yield the alkane. The reductant includes a first metal and the catalyst includes a second metal.

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