2-Hexynoic acid

Base Information

• Chemical Name: 2-Hexynoic acid
• CAS No.: 764-33-0
• Molecular Formula: C6H8 O2
• Molecular Weight: 112.128
• Hs Code.: 29161900
• European Community (EC) Number: 616-334-0
• NSC Number: 289569
• DSSTox Substance ID: DTXSID30314889
• Nikkaji Number: J208.604B
• Wikidata: Q82067354
• Mol file: 764-33-0.mol

Synonyms:2-Hexynoic acid;764-33-0;hex-2-ynoic acid;2-HEXYNOICACID;hexynoic acid;2-HEXYNOIC ACID, 96%;2-Hexynoic acid, 97%;SCHEMBL1067230;AKYAUBWOTZJUBI-UHFFFAOYSA-;DTXSID30314889;MFCD00014371;NSC289569;AKOS006223503;NSC 289569;NSC-289569;BS-22914;CS-0204403;FT-0612500;H0665;DIMETHYLCIS-STILBENE-4,4-DICARBOXYLATE;D90924;EN300-787387

Chemical Property of 2-Hexynoic acid

Chemical Property:

• Vapor Pressure: 0.0315mmHg at 25°C
• Melting Point: 23-26°C
• Refractive Index: 1.4590
• Boiling Point: 116-117°C 13mm
• PKA: 2.67±0.10(Predicted)
• Flash Point: 110-112°C/10mm
• PSA: 37.30000
• Density: 0.992 g/mL at 25 °C
• LogP: 0.87450
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 112.052429494
• Heavy Atom Count: 8
• Complexity: 135

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Hexynoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 36/37/38-43-36-22
• Safety Statements: 26-36/37/39-45-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC#CC(=O)O