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689-97-4

Basic Information
CAS No.: 689-97-4
Name: 1-Buten-3-yne
Article Data: 187
Molecular Structure:
Molecular Structure of 689-97-4 (1-Buten-3-yne)
Formula: C4H4
Molecular Weight: 52.0758
Synonyms: 1-Butenyne;1-Butyn-3-ene; 3-Buten-1-yne; 3-Butyn-1-ene; Butenyne; Ethene, ethynyl-;Monovinylacetylene; Vinylacetylene; Vinylethyne
Density: 0.709g/cm3
Melting Point: 203 °C(Solv: water (7732-18-5))
Boiling Point: 5.1°C at 760 mmHg
Hazard Symbols: Xn
Risk Codes: R20/21/22
Safety: Low toxicity by inhalation. Forms explosive peroxides with air or oxygen. Very exothermic decomposition when heated. Reacts explosively when heated with 1,3-butadiene or oxygen. Reacts with silver nitrate to form the explosive silver buten-3-ynide. When heated to decomposition it emits acrid smoke and irritating fumes. See also ACETYLENE COMPOUNDS and ALKYNES.
PSA: 0.00000
LogP: 0.80560
Synthetic route
110-57-6

trans-1,4-dichlorobut-2-ene

689-97-4

3-buten-1-yne

Conditions
ConditionsYield
With potassium hydroxide; 2,3-dimethyl-2,3-butane diol; Aliquat 336 In Petroleum ether for 1.5h; Heating;70%
With potassium hydroxide; calcium oxide In dimethyl sulfoxide; xylene at 120℃;
With potassium hydroxide; 2-Butoxyethanol In ethylene glycol at 170℃; for 1h; Yield given;
With potassium hydroxide; 2,3-dimethyl-2,3-butane diol; Aliquat 336 In various solvent(s) at 135℃; for 1.5h;
764-41-0

1,4-dichloro-2-butene

689-97-4

3-buten-1-yne

Conditions
ConditionsYield
With potassium hydroxide; cetyldimethylbenzylammonium chloride In dimethyl sulfoxide at 90 - 100℃; for 1h;69%
With ammonia; sodium amide
In ethylene glycol at 50℃; Inert atmosphere;
6048-18-6

1-cyclobutyl-2-(triphenylphosphoranylidene)ethan-1-one

689-97-4

3-buten-1-yne

Conditions
ConditionsYield
at 800 - 850℃; under 0.01 Torr;67%
at 850℃; for 3h;67%
1335114-45-8

benzoic 2-methyl-3-furoic anhydride

A

689-97-4

3-buten-1-yne

B

42827-31-6

4-methylene-2-cyclobuten-1-one

C

65-85-0

benzoic acid

Conditions
ConditionsYield
at 550℃; under 0.01 Torr; Pyrolysis; neat (no solvent);A 55%
B 17%
C n/a
1335114-46-9

benzoic 3-methyl-2-furoic anhydride

A

689-97-4

3-buten-1-yne

B

42827-31-6

4-methylene-2-cyclobuten-1-one

C

65-85-0

benzoic acid

Conditions
ConditionsYield
at 550℃; under 0.01 Torr; Pyrolysis; neat (no solvent);A 50%
B 15%
C n/a
1574-41-0

Z-piperylene

A

689-97-4

3-buten-1-yne

B

2004-70-8

1-methylbuta-1,3-diene

C

4461-48-7

4-methyl-2-pentene

D

542-92-7

cyclopenta-1,3-diene

E

106-99-0

buta-1,3-diene

F

74-86-2

acetylene

Conditions
ConditionsYield
at 20℃; under 0.4 Torr; Product distribution; Irradiation; variation of pressure and additives;A 0.2%
B 0.3%
C 0.13%
D 0.25%
E 0.09%
F 0.22%
513-35-9

2-methyl-but-2-ene

689-97-4

3-buten-1-yne

Conditions
ConditionsYield
bei der Einw. dunkler elektrischer Entladungen;
690-94-8

dimethyl(vinylethynyl)carbinol

689-97-4

3-buten-1-yne

Conditions
ConditionsYield
With potassium hydroxide at 105 - 110℃;
34557-54-5

methane

689-97-4

3-buten-1-yne

2657-67-2

(2R,3S)-1,2,3,4-Tetrabromo-butane

689-97-4

3-buten-1-yne

Conditions
ConditionsYield
With potassium hydroxide at 120℃;
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Chemistry

Details of  BUTEN-3-YNE (689-97-4).
Molecular Formula: C4H4
Molecular Weight: 52.08
Properties: Gas with acetylene-like odor.  Flash p: <-5°C, lel: 2%, uel: 100% d: 0.68 @ 1.7 atm, vap d: 1.8, bp: 2–3°C.
Water Solubility: 1790mg/L
Boiling Point: 5.1°C
Molecular Structure:

Toxicity Data With Reference

BUTEN-3-YNE (689-97-4) has the toxicity.
1.   mouse    LC50     inhalation    97200mg/m3/2H (97200mg/m3)    "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 119, 1982.

2.   

ihl-mus LC50:97,200 mg/m3/2H

   

85GMAT    Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure Izmerov, N.F., et al.,Moscow, USSR.: Centre of International Projects, GKNT,1982,119. 

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Low toxicity by inhalation. Forms explosive peroxides with air or oxygen. Very exothermic decomposition when heated. Reacts explosively when heated with 1,3-BUTADIENE or oxygen. Reacts with SILVER nitrate to form the explosive SILVER buten-3-ynide. When heated to decomposition it emits acrid smoke and irritating fumes. See also ACETYLENE COMPOUNDS and ALKYNES.

Specification

Storage Features OF BUTEN-3-YNE (689-97-4).
Treasury ventilated low-temperature drying; closed storage; with oxidants, acids separate; easy storage a long time to prevent the peroxide generated.