1-Butyne

Base Information

• Chemical Name: 1-Butyne
• CAS No.: 107-00-6
• Molecular Formula: C4H6
• Molecular Weight: 54.0916
• Hs Code.: 2901299090
• European Community (EC) Number: 203-451-3
• UN Number: 2452
• UNII: A6B47CPN6W
• DSSTox Substance ID: DTXSID4029141
• Nikkaji Number: J4.044D
• Wikipedia: 1-Butyne
• Wikidata: Q161597,Q83058197
• Metabolomics Workbench ID: 56897
• Mol file: 107-00-6.mol

Synonyms:1-BUTYNE;but-1-yne;107-00-6;Ethylacetylene;Ethyl acetylene;Ethylethyne;Butyne-1;UN2452;EINECS 203-451-3;UNII-A6B47CPN6W;A6B47CPN6W;Etiletino;Butino;Butyne;1-Butino;n-but-1-yne;1-butyn-3-yl;1-Butyne 98%;Ethylacetylene, inhibited;Ethyl acetylene, inhibited;1-Butyne, >=98%;Ethyl acetylene [1-Butyne];C2H5C.$.CH;DTXSID4029141;CHEBI:48087;MFCD00039944;NA2452;UN 2452;LS-163422;FT-0607566;Q161597;Ethylacetylene, inhibited [UN2452] [Flammable gas];Ethylacetylene, inhibited [UN2452] [Flammable gas]

Chemical Property of 1-Butyne

Chemical Property:

• Vapor Pressure: 1390mmHg at 25°C
• Melting Point: -126°C
• Boiling Point: 7.8°Cat760mmHg
• Flash Point: °C
• PSA: 0.00000
• Density: 0.69g/cm³
• LogP: 1.02960
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 54.0469501914
• Heavy Atom Count: 4
• Complexity: 35.2
• Transport DOT Label: Flammable Gas

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s): Flammable, dangerous fire risk.
• Hazard Codes: Flammable, dangerous fire risk.

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Aliphatics, Unsaturated
• Canonical SMILES: CCC#C

Technology Process of 1-Butyne

There total 71 articles about 1-Butyne which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 60.0%

2-propynyl chloride (624-65-7) + dimethyldiazene (503-28-6) → but-1-yne (107-00-6) + 2,3-dimethylbutene (590-19-2)

Guidance literature:

at 20 ℃; under 50 Torr; Kinetics; Photolysis;

DOI:10.1002/(SICI)1097-4601(2000)32:2<118::AID-KIN8>3.0.CO;2-F

Reference yield:

2-bromobutene (23074-36-4) → but-1-yne (107-00-6) + hydrogen bromide (10035-10-6,12258-64-9)

Guidance literature:

at 120 - 125 ℃;

Reference yield:

(E)/(Z)-1-bromo-1-butene (31844-98-1) → but-1-yne (107-00-6) + hydrogen bromide (10035-10-6,12258-64-9)

Guidance literature:

at 120 - 125 ℃; lower-boiling 1-bromo-butene-(1);

upstream raw materials:

3-buten-1-yne

1-butylene

butene-2

ethyl bromide

Downstream raw materials:

2,2-dimethoxybutane

3-octadecyne

dimethylacetylene

2-Pentyne

Refernces

• 1、 Bly, Ruta K.,Dyke, Kristen M.,Bunz, Uwe H.F.. "A study of molybdenum catalysts in the polymerization of 2,5-didodecyl-1,4-dipropynylbenzene". . p. 825 - 829. Retrieved 2005.
• 2、 Goos, Elke,Hippler, Horst,Hoyermann, Karlheinz,Juerges, Bettina. "Laser powered homogeneous pyrolysis of ethyne, propyne, and propadiene initiated by methyl radicals: Formation and degradation of hydrocarbons at 800-950 K". . p. 2011 - 2018. Retrieved 2002.
• 3、 Cashion,Le Roy. "". . p. 906,915, 916. Retrieved 1954.
• 4、 -. "An acelylenically of a diene compound and/or method of manufacturing". Paragraph 0427; 0428; 0437-0445. . Retrieved 2017/03/28.
• 5、 Pola, Josef,Ouchi, Akihiko,Mary?ko,Vorlí?ek,?ubrt, Jan,Bakardjieva,Bastl, Zdeněk. "UV laser photodeposition of nanomagnetic soot from gaseous benzene and acetonitrile-benzene mixture". experimental part. p. 188 - 194. Retrieved 2012/02/02.