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| CAS No.: | 930-22-3 |
|---|---|
| Name: | BUTADIENE MONOXIDE |
| Article Data: | 57 |
| Molecular Structure: | |
|
|
|
| Formula: | C4H6O |
| Molecular Weight: | 70.091 |
| Synonyms: | 1-Butene,3,4-epoxy- (6CI,8CI);Oxirane, ethenyl- (9CI);1,2-Epoxy-3-butene;1,2-Oxido-3-butene;1,3-Butadiene monoepoxide;1,3-Butadiene monooxide;1,3-Butadiene monoxide;1,3-Butadiene oxide;2-Vinyloxirane;Butadiene epoxide;Butadiene monoepoxide;Butadienemonooxide;Butene 3,4-epoxide;Epoxybutadiene;Ethenyloxirane;NSC 24251;NSC8023;Vinyl epoxide;Vinyloxirane; |
| EINECS: | 213-210-4 |
| Density: | 1.076 g/cm3 |
| Melting Point: | -135 °C |
| Boiling Point: | 70 °C at 760 mmHg |
| Flash Point: | -50 °C |
| Appearance: | clear colorless to light yellow liquid |
| Hazard Symbols: |
 Xn, F
|
| Risk Codes: | 11-22-36 |
| Safety: | 16-26-36/37 |
| Transport Information: | UN 1993 3/PG 2 |
| PSA: | 12.53000 |
| LogP: | 0.57120 |
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- 99170-93-1N-Methyl-2-oxazolamine
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- 936239-96-24-methyl-1-octylpyridinium tetrafluoroborate(1-)
- 943976-22-5Mefway
- 106-99-0
buta-1,3-diene
A
- 930-22-3
epoxybutene
B
- 564-00-1, 1464-53-5, 30031-64-2, 30419-67-1, 34897-03-5, 298-18-0
1,2:3,4-Diepoxybutane
| Conditions | Yield |
|---|---|
| Stage #1: With sodium oxalate; oxalic acid; manganese(II) acetate; N,N',N''-trimethyl-1,4,7-triazacyclononane In water Stage #2: buta-1,3-diene With dihydrogen peroxide In water at -40 - 25℃; under 2400.24 - 3900.39 Torr; for 8.5h; Cooling with acetone-dry ice; | A n/a B 95.5% |
| Conditions | Yield |
|---|---|
| With [N,N'-bis(salicylidene)-1,2-ethanediaminato]Mn(III) chloride; iodosylbenzene In dichloromethane | 92% |
| With dihydrogen peroxide; teterabutylammonium In acetonitrile at 31.85℃; for 9h; | 91% |
| With 3-chloro-benzenecarboperoxoic acid In dichloromethane at 45℃; for 48h; |
- 13287-42-8
(2-bromoethyl)oxirane
- 996-82-7, 34727-00-9, 73177-21-6
sodium diethylmalonate
- 64-17-5
ethanol
- 930-22-3
epoxybutene
| Conditions | Yield |
|---|---|
| bei Raumtemperatur in 35 min; |
| Conditions | Yield |
|---|---|
| at 17 - 18℃; Geschwindigkeit; |
| Conditions | Yield |
|---|---|
| With ethyl acetate | |
| With acetone |
| Conditions | Yield |
|---|---|
| With chloroethane |
| Conditions | Yield |
|---|---|
| With diethyl ether |
- 764-41-0
1,4-dichloro-2-butene
A
- 930-22-3
epoxybutene
B
- 627-22-5
1-chloroprene
C
- 821-11-4, 6117-80-2, 110-64-5
1,4-butenediol
D
- 75-07-0
acetaldehyde
| Conditions | Yield |
|---|---|
| With sodium hydroxide; N-benzyl-N-dodecyl-N,N-bis(beta-hydroxyethyl)ammonium chloride at 60 - 90℃; Product distribution; Kinetics; Thermodynamic data; further catalyst and base; E(excit.); |
| Conditions | Yield |
|---|---|
| With diethoxyltriphenylphosphorane In chloroform-d1 at 61℃; for 18h; Yield given; |
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Consensus Reports
Reported in EPA TSCA Inventory.
Specification
The 3,4-Epoxy-1-butene, with the CAS registry number 930-22-3, is also known as Butadiene monoepoxide. It belongs to the product categories of Oxiranes; Simple 3-Membered Ring Compounds. Its EINECS number is 213-210-4. This chemical's molecular formula is C4H6O and molecular weight is 70.09. What's more, its systematic name is 2-Vinyloxirane. Its classification codes are: (1)Mutagens; (2)Mutation data; (3)Noxae; (4)Tumor data. This chemical is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. Moreover, it should be protected from oxides, heat and water.
Physical properties of 3,4-Epoxy-1-butene are: (1)ACD/LogP: 0.192; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.19; (4)ACD/LogD (pH 7.4): 0.19; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 30.30; (8)ACD/KOC (pH 7.4): 30.30; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 12.53 Å2; (13)Index of Refraction: 1.578; (14)Molar Refractivity: 21.609 cm3; (15)Molar Volume: 65.141 cm3; (16)Polarizability: 8.566×10-24cm3; (17)Surface Tension: 35.9 dyne/cm; (18)Density: 1.076 g/cm3; (19)Flash Point: -50 °C; (20)Enthalpy of Vaporization: 29.867 kJ/mol; (21)Boiling Point: 70 °C at 760 mmHg; (22)Vapour Pressure: 142.6 mmHg at 25°C.
Preparation: this chemical can be prepared by buta-1,3-diene at the ambient temperature. This reaction will need reagent NaOCl and solvents CH2Cl2, H2O with the reaction time of 24 hours. The yield is about 92%.
Uses of 3,4-Epoxy-1-butene: it can be used to produce 1,2-dibromo-3,4-epoxy-butane at the temperature of 0 °C. It will need reagent Br2 and solvent CH2Cl2 with the reaction time of 3 hours. The yield is about 65%.
When you are using this chemical, please be cautious about it as the following:
This chemical is highly flammable. It is irritating to eyes and it is harmful if swallowed. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing and gloves.
You can still convert the following datas into molecular structure:
(1)SMILES: O1C(\C=C)C1
(2)Std. InChI: InChI=1S/C4H6O/c1-2-4-3-5-4/h2,4H,1,3H2
(3)Std. InChIKey: GXBYFVGCMPJVJX-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LD50 | intraperitoneal | 168mg/kg (168mg/kg) | Toxicology and Applied Pharmacology. Vol. 52, Pg. 422, 1980. |