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Cas Database |
| Name |
2-Methyl-1-buten-4-ol |
EINECS | 212-110-8 |
| CAS No. | 763-32-6 | Density | 0.832 g/cm3 |
| PSA | 20.23000 | LogP | 0.94490 |
| Solubility | 77.9g/L at 20℃ | Melting Point |
36.29°C |
| Formula | C5H10O | Boiling Point | 114.2 °C at 760 mmHg |
| Molecular Weight | 86.1338 | Flash Point | 40.1 °C |
| Transport Information | UN 1987 3/PG 3 | Appearance | clear colorless to light yellow liquid |
| Safety | 16-26-36 | Risk Codes | 10-36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
2-Methyl-1-buten-4-ol;2-Methyl-4-hydroxy-1-butene;3-Isopentenyl alcohol;3-Methyl-3-buten-1-ol;3-Methyl-3-butene-1-ol;3-Methyl-3-butenol;3-Methylenebutan-1-ol;4-Hydroxy-2-methyl-1-butene;Isobutenylcarbinol;Isoprenol;Isopropenylethylalcohol;Methallylcarbinol;NSC 122673; |
Article Data | 105 |
2-Methyl-1-buten-4-ol Synthetic route
| Conditions | Yield |
|---|---|
| In water at 280℃; under 150015 Torr; for 0.166667h; | 95% |
| at 200℃; under 235362 - 478080 Torr; | |
| In methanol; water; isopropyl alcohol |
- 59954-67-5
3,4-epoxy-3-methylbutanol
- 763-32-6
2-methyl-1-buten-4-ol
| Conditions | Yield |
|---|---|
| With zirconium(IV) chloride; sodium iodide In acetonitrile for 0.0166667h; Heating; | 90% |
| Conditions | Yield |
|---|---|
| With triphenylphosphine; paraformaldehyde; hexacarbonyl molybdenum In benzene | 70% |
| With paraformaldehyde In benzene | 59% |
| With paraformaldehyde In benzene | 50% |
| Conditions | Yield |
|---|---|
| In diethyl ether Heating; | 65% |
| With diethyl ether | |
| In diethyl ether for 12h; Heating; Yield given; |
| Conditions | Yield |
|---|---|
| With oxygen at 200℃; under 75007.5 Torr; Pressure; Temperature; | 61.2% |
| Conditions | Yield |
|---|---|
| With paraformaldehyde In benzene | 60% |
| Conditions | Yield |
|---|---|
| With paraformaldehyde In benzene | 58% |
| Conditions | Yield |
|---|---|
| With paraformaldehyde In benzene | 57% |
- 1438-14-8
2-isopropyloxirane
A
- 563-80-4
3-methyl-butan-2-one
B
- 763-32-6
2-methyl-1-buten-4-ol
C
- 35158-25-9
2-isopropyl-5-methyl-hex-2-enal
D
- 556-82-1
3-methyl-2-buten-1-ol
| Conditions | Yield |
|---|---|
| With magnesium bromide In N,N-dimethyl-formamide at 130℃; for 0.666667h; Further byproducts given; | A 52.2% B 23.2% C 8.7% D 13.7% |
| Conditions | Yield |
|---|---|
| With paraformaldehyde In acetonitrile | 44% |
2-Methyl-1-buten-4-ol Specification
The 3-Buten-1-ol, 3-methyl, with the CAS registry number 763-32-6 and EINECS registry number 212-110-8, has the systematic nane and IUPAC name of 3-methylbut-3-en-1-ol. It is a kind of clear colorless to light yellow liquid, and belongs to the following product categories: Alphabetical Listings; Flavors and Fragrances; M-N; Acyclic; Alkenes; Organic Building Blocks. And the molecular formula of the chemical is C5H10O.
The characteristics of 3-Buten-1-ol, 3-methyl are as followings: (1)ACD/LogP: 1.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.11; (4)ACD/LogD (pH 7.4): 1.11; (5)ACD/BCF (pH 5.5): 4.11; (6)ACD/BCF (pH 7.4): 4.11; (7)ACD/KOC (pH 5.5): 95.68; (8)ACD/KOC (pH 7.4): 95.68; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.422; (14)Molar Refractivity: 26.31 cm3; (15)Molar Volume: 103.4 cm3; (16)Polarizability: 10.43×10-24cm3; (17)Surface Tension: 25.7 dyne/cm; (18)Density: 0.832 g/cm3; (19)Flash Point: 40.1 °C; (20)Enthalpy of Vaporization: 41.1 kJ/mol; (21)Boiling Point: 114.2 °C at 760 mmHg; (22)Vapour Pressure: 10.2 mmHg at 25°C.
Preparation of 2-Methyl-1-buten-4-ol: This chemical can be prepared by formaldehyde and (2-methyl-allyl)-magnesium chloride. The reaction will need reagent diethyl ether, and heating. And the yield is about 65%.
Uses of 2-Methyl-1-buten-4-ol: It can react with thiazolidine-2,4-dione to produce thiazolidine-2,4-dione. This reaction will need reagent dimethylazodicarboxylate and triphenylphosphine, and menstruum tetrahydrofuran. And the yield is about 80%.
You should be cautious while dealing with this chemical. It is a kind of flammable chemical which irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Keep away from sources of ignition - No smoking; Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: OCCC(=C)\C
(2)InChI: InChI=1/C5H10O/c1-5(2)3-4-6/h6H,1,3-4H2,2H3
(3)InChIKey: CPJRRXSHAYUTGL-UHFFFAOYAD
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