Isopropenylacetylene

Base Information Edit

Chemical Name:Isopropenylacetylene
CAS No.:78-80-8
Molecular Formula:C5H6
Molecular Weight:66.1026
Hs Code.:
European Community (EC) Number:201-144-9
NSC Number:9296
UN Number:1992
UNII:P92A4F7TZS
DSSTox Substance ID:DTXSID20228648
Nikkaji Number:J42.742J
Wikidata:Q22077076
Mol file:78-80-8.mol

Synonyms:Isopropenylacetylene;2-Methyl-1-buten-3-yne;2-Methylbut-1-en-3-yne;78-80-8;Valylene;1-BUTEN-3-YNE, 2-METHYL-;3-Methyl-3-buten-1-yne;NSC 9296;EINECS 201-144-9;BRN 0969175;P92A4F7TZS;AI3-25132;NSC-9296;4-01-00-01089 (Beilstein Handbook Reference);2-Methylbutenyne;NSC9296;2-Methyl-1-buten-3-yne, 99%;isopropenyl acetylene;2-Methyl-1-butenyne;2-methyl-l-buten-3-yne;2-methylbut-1-en-3-yn;UNII-P92A4F7TZS;3-methyl-3-butene-1-yne;1-Butene-3-yne, 2-methyl-;WLN: 1UU1Y1&U1;CH2=C(CH3)C.$.CH;DTXSID20228648;MFCD00008599;AKOS015841058;LS-47352;1-Buten-3-yne,2-methyl-(6ci,8ci,9ci);FT-0613022;EN300-172373;Q22077076

Suppliers and Price of Isopropenylacetylene

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 18 raw suppliers

Chemical Property of Isopropenylacetylene Edit

Chemical Property:

Appearance/Colour:Clear colorless to light yellow liquid
Vapor Pressure:598mmHg at 25°C
Melting Point:-113 °C
Boiling Point:32 °C(lit.)
Flash Point:20 °F
PSA：0.00000
Density:0.695 g/mL at 25 °C(lit.)
LogP:1.19570
XLogP3:1.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:0
Rotatable Bond Count:1
Exact Mass:66.0469501914
Heavy Atom Count:5
Complexity:79.5

Purity/Quality:: ≥90.0% ^*data from raw suppliers

Safty Information:

Pictogram(s): F+,Xn,Xi
Hazard Codes:F+,Xn,Xi

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:CC(=C)C#C

Technology Process of Isopropenylacetylene

There total 26 articles about Isopropenylacetylene 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: 90.0%

: 1111-97-3
3-chloro-3-methylbut-1-yne

: 767-00-0
4-cyanophenol

: 33143-92-9
4-[(1,1-Dimethyl-2-propynyl)oxy]benzonitrile

: 4-(1,1,6-Trimethyl-hepta-4,5-dien-2-ynyloxy)-benzonitrile

: 78-80-8
2-methylbut-1-en-3-yne

Guidance literature:: With 1,8-diazabicyclo[5.4.0]undec-7-ene; copper(l) chloride; In acetonitrile; at 0 ℃; for 2.5h; Product distribution; variation of conditions; other solvents; further phenols; further copper (Cu(II)) catalyst; further 2-substituted-2-methyl-3-butynes;
DOI:10.1016/S0040-4039(00)78231-1

Reference yield: 75.0%

: 115-19-5
2-methyl-but-3-yn-2-ol

: 78-80-8
2-methylbut-1-en-3-yne

Guidance literature:: With trifluoroacetic acid; [Ru(η³-2-C3H4Me)(CO)(1,1'-(Ph2P)2-ferrocene)][SbF6]; In tetrahydrofuran; at 60 ℃; for 6h;
DOI:10.1002/adsc.200505294

Reference yield: 33.0%

: 335-03-5
1,1-difluoro-2,2-dimethylcyclopropane

: 814-78-8,25988-32-3
3-Methyl-3-buten-2-one

: 338-68-1
2-fluoro-3-methyl-1,3-butadiene

: 78-80-8
2-methylbut-1-en-3-yne

Guidance literature:: With aluminum oxide; at 200 ℃; for 0.75h; Inert atmosphere; Gas phase; Flow reactor; Pyrolysis;
DOI:10.1007/s11172-015-0914-6