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ChemicalBook--->CAS DataBase List--->107-39-1

107-39-1

107-39-1 Structure

107-39-1 Structure
IdentificationMore
[Name]

2,4,4-TRIMETHYL-1-PENTENE
[CAS]

107-39-1
[Synonyms]

2,4,4-TRIMETHYL-1-PENTENE
2,4,4-TRIMETHYL-1-PENTENE AND 2,4,4-TRIMETHYL-2-PENTENE
2,4,4-TRIMETHYLPENTENE
2,4,6-Trimethyl-1-pentene
ALPHA-DIISOBUTYLENE
DIISOBUTYLENE
ISOCAPRYLENES
ISOOCTENE
ISOOCTENE
ISOOCTENES
ISOOCTYLENE
(tert-C4H9)CH2C(CH3)=CH2
1-Pentene, 2,2,4-trimethyl-
1-Pentene,2,4,4-trimethyl-
2,2,4-Trimethyl-4-pentene
2,4,4-trimethyl-1-penten
2,4,4-trimethyl-1-pentene,mixtureofisomers
2,4,4-trimethyl-pent-1-ene
2,4,4-Trimethylpent-1-ene
2,4,4-Trimethylpentene-1
[EINECS(EC#)]

246-690-9
[Molecular Formula]

C8H16
[MDL Number]

MFCD00008855
[Molecular Weight]

112.21
[MOL File]

107-39-1.mol
Chemical PropertiesBack Directory
[Definition]

Mixture of isomers.
[Appearance]

colourless liquid
[Melting point ]

-101 °C
[Boiling point ]

101-102 °C (lit.)
[density ]

0.708 g/mL at 25 °C(lit.)
[vapor density ]

>3.8 (vs air)
[vapor pressure ]

83 mmHg ( 37.7 °C)
[refractive index ]

n20/D 1.411
[Fp ]

21 °F
[storage temp. ]

2-8°C
[form ]

Liquid
[color ]

Clear colorless
[Specific Gravity]

0.708
[Odor]

Like gasoline.
[Stability:]

Stable. Highly flammable. Vapour may flow over surfaces to a distant source of ignition. Incompatible with oxidizing agents.
[explosive limit]

4.8%
[Water Solubility ]

Miscible with acetone. Partially soluble in methanol, diethyl ether, benzene, chloroform. Immiscible with water.
[BRN ]

1098309
[Uses]

Organic synthesis; motor-fuel synthesis, particularly isooctane; peroxide reactions.
[CAS DataBase Reference]

107-39-1(CAS DataBase Reference)
[NIST Chemistry Reference]

1-Pentene, 2,4,4-trimethyl-(107-39-1)
[EPA Substance Registry System]

107-39-1(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

F,N
[Risk Statements ]

R11:Highly Flammable.
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
[Safety Statements ]

S9:Keep container in a well-ventilated place .
S16:Keep away from sources of ignition-No smoking .
S29:Do not empty into drains .
S33:Take precautionary measures against static discharges .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
[RIDADR ]

UN 2050 3/PG 2
[WGK Germany ]

2
[RTECS ]

SB2717300
[Autoignition Temperature]

736 °F
[TSCA ]

Yes
[HazardClass ]

3
[PackingGroup ]

II
[HS Code ]

29012990
[Hazardous Substances Data]

107-39-1(Hazardous Substances Data)
Raw materials And Preparation ProductsBack Directory
[Raw materials]

1,3-Butadiene-->1-OCTENE-->2,4,4-TRIMETHYL-2-PENTENE-->C4 Fraction-->tert-Butyl ethyl ether-->2,3,4-TRIMETHYLPENTANE-->2,3-Dimethyl-1-butene-->2,3,3-TRIMETHYLPENTANE-->Diethyl ether-->Ethanol-->2,3-Dimethylbutane
[Preparation Products]

N-TERT-OCTYLACRYLAMIDE-->TERT-OCTYL ISOTHIOCYANATE-->DIISOOCTYLPHOSPHINIC ACID-->2-METHYLHEPTANE
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

isooctene(5026-76-7).msds
Hazard InformationBack Directory
[Chemical Properties]

colourless liquid
[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.
[Toxics Screening Level]

Due to a lack of available toxicity information the ITSL is being set at 0.1 μg/m3 with annual averaging.
Spectrum DetailBack Directory
[Spectrum Detail]

2,4,4-TRIMETHYL-1-PENTENE(107-39-1)MS
2,4,4-TRIMETHYL-1-PENTENE(107-39-1)1HNMR
2,4,4-TRIMETHYL-1-PENTENE(107-39-1)13CNMR
2,4,4-TRIMETHYL-1-PENTENE(107-39-1)IR1
2,4,4-TRIMETHYL-1-PENTENE(107-39-1)IR2
2,4,4-TRIMETHYL-1-PENTENE(107-39-1)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2,4,4-Trimethyl-1-pentene, 95%(107-39-1)
[Alfa Aesar]

2,4,4-Trimethyl-1-pentene, 99%(107-39-1)
[Sigma Aldrich]

107-39-1(sigmaaldrich)
[TCI AMERICA]

2,4,4-Trimethyl-1-pentene,>98.0%(GC)(107-39-1)
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