3-(Prop-2-yn-1-yl)pentane-2,4-dione

Base Information

• Chemical Name: 3-(Prop-2-yn-1-yl)pentane-2,4-dione
• CAS No.: 38352-74-8
• Molecular Formula: C8H10O2
• Molecular Weight: 138.166
• European Community (EC) Number: 959-224-0
• DSSTox Substance ID: DTXSID90408793
• Nikkaji Number: J693.469B
• Mol file: 38352-74-8.mol

Synonyms:3-(prop-2-yn-1-yl)pentane-2,4-dione;3-prop-2-ynylpentane-2,4-dione;38352-74-8;1-acetyl-3-butynyl methyl ketone;3-(2-propynyl)-2,4-pentanedione;2,4-Pentanedione, 3-(2-propynyl)-;SCHEMBL435187;3-propargyl-pentane-2,4-dione;DTXSID90408793;LRBJQLKQIUOQAV-UHFFFAOYSA-N;3-prop-2-ynyl-pentane-2,4-dione;AKOS022623462;CS-0229892;EN300-101466

Chemical Property of 3-(Prop-2-yn-1-yl)pentane-2,4-dione

Chemical Property:

• PSA: 34.14000
• LogP: 0.80390
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 138.068079557
• Heavy Atom Count: 10
• Complexity: 181

Purity/Quality:

99% ^*data from raw suppliers

3-(prop-2-yn-1-yl)pentane-2,4-dione ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C(CC#C)C(=O)C