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Basic Information
CAS No.: 930-22-3
Name: BUTADIENE MONOXIDE
Article Data: 57
Molecular Structure:
Molecular Structure of 930-22-3 (BUTADIENE MONOXIDE)
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: HarmfulXn,FlammableF
Risk Codes: 11-22-36
Safety: 16-26-36/37
Transport Information: UN 1993 3/PG 2
PSA: 12.53000
LogP: 0.57120
Synthetic route
Conditions
ConditionsYield
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%
106-99-0

buta-1,3-diene

930-22-3

epoxybutene

Conditions
ConditionsYield
With [N,N'-bis(salicylidene)-1,2-ethanediaminato]Mn(III) chloride; iodosylbenzene In dichloromethane92%
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

671-56-7

1-chloro-2-hydroxy-3-butene

124-41-4

sodium methylate

930-22-3

epoxybutene

Conditions
ConditionsYield
bei Raumtemperatur in 35 min;
79-21-0

peracetic acid

60-29-7

diethyl ether

106-99-0

buta-1,3-diene

930-22-3

epoxybutene

Conditions
ConditionsYield
at 17 - 18℃; Geschwindigkeit;
79-21-0

peracetic acid

106-99-0

buta-1,3-diene

930-22-3

epoxybutene

Conditions
ConditionsYield
With ethyl acetate
With acetone
93-59-4

Perbenzoic acid

106-99-0

buta-1,3-diene

930-22-3

epoxybutene

Conditions
ConditionsYield
With chloroethane
110-22-5

diacetyl peroxide

106-99-0

buta-1,3-diene

930-22-3

epoxybutene

Conditions
ConditionsYield
With diethyl ether
764-41-0

1,4-dichloro-2-butene

A

930-22-3

epoxybutene

B

627-22-5

1-chloroprene

D

75-07-0

acetaldehyde

Conditions
ConditionsYield
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.);
821-11-4

(E)-2-butene-1,4-diol

930-22-3

epoxybutene

Conditions
ConditionsYield
With diethoxyltriphenylphosphorane In chloroform-d1 at 61℃; for 18h; Yield given;
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    Product Name: BUTADIENE MONOXIDE CAS: 930-22-3 MF: C4H6O MW: 70.09 EINECS: 213-210-4 Mol File: 930-22-3.mol BUTADIENE MONOXIDE Structure BUTADIENE MONOXIDE Chemical Properties Melting point -135 °C Boiling point 65-66

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  • 3,4-Epoxy-1-butene cas  930-22-3

  • Casno:

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    Formula: C4H6OMolecular Weight : 70.09 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-Vinyloxi

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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%.

3,4-Epoxy-1-butene can be prepared by buta-1,3-diene at the ambient temperature

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%.

3,4-Epoxy-1-butene can be used to produce 1,2-dibromo-3,4-epoxy-butane at the temperature of 0 °C

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.