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Name |
3-Methyl-1-butene |
EINECS | 209-249-1 |
CAS No. | 563-45-1 | Density | 0.658 g/cm3 |
PSA | 0.00000 | LogP | 1.82840 |
Solubility | Insoluble in water | Melting Point |
-168 °C |
Formula | C5H10 | Boiling Point | 20.059 °C at 760 mmHg |
Molecular Weight | 70.1344 | Flash Point | -56.667 °C |
Transport Information | UN 2561 3/PG 1 | Appearance | A colorless volatile liquid with a disagreeable odor |
Safety | 16-26-62 | Risk Codes | 12-36/37/38-65 |
Molecular Structure | Hazard Symbols | F+,Xn | |
Synonyms |
2-Methyl-3-butene;3,3-Dimethylpropene;3-Methyl-1-butene;Isopropylethene;Isopropylethylene;a-Isoamylene; |
Article Data | 233 |
(E)-trimethyl-(β-methylcrotyl)silane
3-Methyl-1-butene
Conditions | Yield |
---|---|
With tetrahydrofuran at 60℃; for 3h; Heating; | 100% |
WCl2(PMePh2)4
ethene
A
WCl2{P(CH3)(C6H5)2}2(O)(C2H4)
B
3-Methyl-1-butene
Conditions | Yield |
---|---|
With acetone In benzene-d6 2 mol equiv. acetone and 2 mol equiv. C2H4 condensed into NMR tube contg. 1 mol equiv. soln. W-complex/C6D6 at -196°C, tube sealed; not isolated, detected by NMR-spect.; other uncharacterized products also present; | A 94% B 31% |
Conditions | Yield |
---|---|
Ba-compounds on Al2O3 at 340℃; Product distribution / selectivity; Gas phase; | A 7% B 91.1% |
aluminium oxide SP 537 at 280℃; under 1125.11 Torr; Product distribution / selectivity; | |
With aluminum oxide at 250 - 325℃; Temperature; | |
With aluminum oxide at 325℃; Flow reactor; | A 10 %Chromat. B 86.2 %Chromat. |
2-Methylbutyraldehyde
isoprene
A
3-methyl-butan-2-one
B
2-methyl-but-2-ene
C
3-Methyl-1-butene
D
pivalaldehyde
Conditions | Yield |
---|---|
With steam; calcium phosphate catalyst TU 103-134-72 at 380℃; Product distribution; Rate constant; Kinetics; other conditions - var. space velocity of adding reagent, var. dilution with steam, var. temp., var. contact time, other object - activation energy data;; | A 8.2% B n/a C n/a D 0.6% E n/a |
Conditions | Yield |
---|---|
With potassium tert-butylate In N,N,N,N,N,N-hexamethylphosphoric triamide at 60℃; for 3h; | A 85% B 5% |
(4S)-4-isopropyl-2-phenyl-4,5-dihydro-1λ6,3-thiazole 1,1-dioxide
A
3-Methyl-1-butene
B
benzonitrile
Conditions | Yield |
---|---|
at 600℃; under 0.001 Torr; | A 68% B 83% |
A
2,2-dimethylpropane
B
ethene
C
1,1-dimethylcyclopropane
D
3-Methyl-1-butene
E
isobutene
Conditions | Yield |
---|---|
In toluene inert atmosphere, thermal decompn. (85°C); GLC; | A 5% B 5% C 74% D 4% E 12% |
triethylbenzylammonium ethanolate
i-pentyl bromide
A
1-ethoxy-3-methyl-butane
B
3-Methyl-1-butene
Conditions | Yield |
---|---|
at 20 - 25℃; for 1h; | A 62% B 2.2% |
Dimethylallene
A
2-methyl-but-2-ene
B
methylbutane
C
2-Methyl-1-butene
D
3-Methyl-1-butene
Conditions | Yield |
---|---|
With hydrogen; palladium dichloride In N,N-dimethyl-formamide under 18751.5 Torr; for 0.133333h; Product distribution; Ambient temperature; various time; | A 57.5% B 1.2% C 0.1% D 25.2% |
2-chloro-3-methyl-butan-1-ol
3-Methyl-1-butene
Conditions | Yield |
---|---|
With n-butyllithium; naphthalen-1-yl-lithium at -100℃; | 54% |
Reported in EPA TSCA Inventory.
The 3-Methyl-1-butene, with the CAS registry number 563-45-1, is also known as 3-Methylbut-1-ene. It belongs to the product categories of Gas Cylinders; Hydrocarbons (Low Boiling point); Synthetic Organic Chemistry; Alpha Sort; Hydrocarbons; NeatsGasoline, Diesel, Petroleum; Olefins; Substance classes; Volatiles/ Semivolatiles; Chemical Synthesis; Compressed and Liquefied Gases; Synthetic Reagents; Acyclic; Alkenes; Organic Building Blocks. Its EINECS number is 209-249-1. This chemical's molecular formula is C5H10 and molecular weight is 70.13. What's more, its systematic name is 3-Methyl-1-butene. This chemical is used to make other chemicals.
Physical properties of 3-Methyl-1-butene are: (1)ACD/LogP: 2.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.69; (4)ACD/LogD (pH 7.4): 2.69; (5)ACD/BCF (pH 5.5): 65.26; (6)ACD/BCF (pH 7.4): 65.26; (7)ACD/KOC (pH 5.5): 692.69; (8)ACD/KOC (pH 7.4): 692.69; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.384; (13)Molar Refractivity: 24.897 cm3; (14)Molar Volume: 106.54 cm3; (15)Polarizability: 9.87×10-24cm3; (16)Surface Tension: 17.4 dyne/cm; (17)Density: 0.658 g/cm3; (18)Flash Point: -56.667 °C; (19)Enthalpy of Vaporization: 25.581 kJ/mol; (20)Boiling Point: 20.059 °C at 760 mmHg; (21)Vapour Pressure: 905.327026367188 mmHg at 25°C.
Preparation: this chemical can be prepared by 3-Methyl-4-trimethylsilylbut-2-ene by heating. This reaction will need reagent THF with the reaction time of 3 hours. The yield is about 100%.
Uses of 3-Methyl-1-butene: it can be used to produce 1,2-dibromo-3-methyl-butane at the temperature of -65 °C. It will need reagent Br2 and solvent CHCl3. The yield is about 95%.
When you are using this chemical, please be cautious about it as the following:
This chemical is extremely flammable, so you should keep it away from sources of ignition - No smoking. It is irritating to eyes, respiratory system and skin. It is harmful as it may cause lung damage if swallowed. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. If swallowed, it will not induce vomiting, and you should seek medical advice immediately and show this container or label.
You can still convert the following datas into molecular structure:
(1)SMILES: C=C\C(C)C
(2)Std. InChI: InChI=1S/C5H10/c1-4-5(2)3/h4-5H,1H2,2-3H3
(3)Std. InChIKey: YHQXBTXEYZIYOV-UHFFFAOYSA-N