CAS No.930-22-3,BUTADIENE MONOXIDE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	930-22-3
Name:	BUTADIENE MONOXIDE
Article Data:	57

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

Synthetic route

: 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

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%

: 106-99-0
buta-1,3-diene

: 930-22-3
epoxybutene

Conditions

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

...Expand

: 671-56-7
1-chloro-2-hydroxy-3-butene

: 124-41-4
sodium methylate

: 930-22-3
epoxybutene

Conditions

Conditions	Yield
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

Conditions	Yield
at 17 - 18℃; Geschwindigkeit;

...Expand

: 79-21-0
peracetic acid

: 106-99-0
buta-1,3-diene

: 930-22-3
epoxybutene

Conditions

Conditions	Yield
With ethyl acetate
With acetone

: 93-59-4
Perbenzoic acid

: 106-99-0
buta-1,3-diene

: 930-22-3
epoxybutene

Conditions

Conditions	Yield
With chloroethane

: 110-22-5
diacetyl peroxide

: 106-99-0
buta-1,3-diene

: 930-22-3
epoxybutene

Conditions

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

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.);

...Expand

: 821-11-4
(E)-2-butene-1,4-diol

: 930-22-3
epoxybutene

Conditions

Conditions	Yield
With diethoxyltriphenylphosphorane In chloroform-d1 at 61℃; for 18h; Yield given;

Raw Materials

79-21-0

764-41-0

106-99-0

60-29-7

Downstream Products

78-94-4

106-99-0

98-86-2

627-40-7

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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.