CAS No.107-39-1,2,4,4-TRIMETHYL-1-PENTENE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	107-39-1
Name:	2,4,4-TRIMETHYL-1-PENTENE
Article Data:	169

Formula:	C₈H₁₆
Molecular Weight:	112.215
Synonyms:	1-Methyl-1-neopentylethylene;2,2,4-Trimethyl-4-pentene;2,4,4-Trimethyl-1-pentene;NSC 73942;NSC 8701;
EINECS:	203-486-4
Density:	0.721 g/cm³
Melting Point:	-101 °C
Boiling Point:	101.4 °C at 760 mmHg
Flash Point:	21 °F
Solubility:	Miscible with acetone. Partially soluble in methanol, diethyl ether, benzene, chloroform. Immiscible with water.
Appearance:	colourless liquid
Hazard Symbols:	F,N
Risk Codes:	11-51/53
Safety:	9-16-29-33-61
Transport Information:	UN 2050
PSA:	0.00000
LogP:	2.99870

Synthetic route

: 75-65-0
tert-butyl alcohol

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

Conditions

Conditions	Yield
With sulfuric acid at 95℃; for 4h; Temperature; Sealed tube;	95%

: 78-83-1
2-methyl-propan-1-ol

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

Conditions

Conditions	Yield
With sulfuric acid at 95℃; for 5h; Temperature; Sealed tube;	95%

: 115-11-7
isobutene

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

Conditions

Conditions	Yield
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;

: 56-81-5
glycerol

: 115-11-7
isobutene

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

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

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

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

Conditions

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

...Expand

: 115-11-7
isobutene

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

B: 141-70-8
1,1-dineopentylethylene

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

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

Conditions

Conditions	Yield
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;

...Expand

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Specification

The 1-Pentene,2,4,4-trimethyl-, with the CAS registry number 107479-55-0, is also known as 2,2,4-Trimethyl-4-pentene. This chemical's molecular formula is C₈H₁₆ and molecular weight is 112.21. What's more, its systematic name is 2,4,4-trimethylpent-1-ene. Its classification code is Mutation data. It should be sealed and stored in a cool, ventilated and dry place. The temperature of the storeroom should not exceed 30°C. What's more, it should be protected from strong oxides, acids, heat and fire. It is used to prepare synthetic rubber viscous agents, all kinds of surfactants, ultraviolet absorbers, PVC stabilizers and so on.

Physical properties of 1-Pentene,2,4,4-trimethyl- are: (1)ACD/LogP: 4.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.15; (4)ACD/BCF (pH 5.5): 841.43; (5)ACD/KOC (pH 5.5): 4318.47; (6)#Freely Rotating Bonds: 2; (7)Index of Refraction: 1.411; (8)Molar Refractivity: 38.64 cm³; (9)Molar Volume: 155.5 cm³; (10)Surface Tension: 20.4 dyne/cm; (11)Density: 0.721 g/cm³; (12)Enthalpy of Vaporization: 32.65 kJ/mol; (13)Boiling Point: 101.4 °C at 760 mmHg; (14)Vapour Pressure: 40.6 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-methyl-propene at the temperature of 99.9 °C. This reaction will need reagent ferrierite/alumina. The yield is about 94.5%.

Uses of 1-Pentene,2,4,4-trimethyl-: it can be used to produce 2-t-butyl-4-t-octylphenol at the ambient temperature. It will need reagent AlCl₃ with the reaction time of 7 hours. The yield is about 55%.

When you are using this chemical, please be cautious about it as the following:
It is highly flammable, so you should keep it away from sources of ignition - No smoking. You need keep the container in a well-ventilated place. It is toxic to aquatic organisms as it may cause long-term adverse effects in the aquatic environment. You must not empty it into drains. You should take precautionary measures against static discharges. It must be avoided releasing to the environment just refering to special instructions/safety data sheetprotection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=C)CC(C)(C)C
(2)InChI: InChI=1S/C8H16/c1-7(2)6-8(3,4)5/h1,6H2,2-5H3
(3)InChIKey: FXNDIJDIPNCZQJ-UHFFFAOYSA-N