Product Name

  • Name

    2-Butynoic acid

  • EINECS 209-695-7
  • CAS No. 590-93-2
  • Article Data48
  • CAS DataBase
  • Density 1.159 g/cm3
  • Solubility Soluble in water. Slightly soluble in methanol and chloroform.
  • Melting Point 78-80 °C(lit.)
  • Formula C4H4O2
  • Boiling Point 203 °C at 760 mmHg
  • Molecular Weight 84.0746
  • Flash Point 90.9 °C
  • Transport Information UN 3261 8/PG 2
  • Appearance White to yellow powder
  • Safety 26-27-36/37/39-45
  • Risk Codes 34-20/21/22
  • Molecular Structure Molecular Structure of 590-93-2 (2-Butynoic acid)
  • Hazard Symbols CorrosiveC
  • Synonyms Tetrolicacid (6CI,7CI,8CI);1-Propynecarboxylic acid;3-Methylpropiolic acid;Methylacetylenecarboxylic acid;Methylpropynoic acid;
  • PSA 37.30000
  • LogP 0.09430

2-Butynoic acid Specification

The CAS registry number of 2-Butynoic acid is 590-93-2. The IUPAC name is but-2-ynoic acid. Its EINECS registry number is 209-695-7. In addition, the molecular formula is C4H4O2 and the molecular weight is 84.07. It is a kind of white to yellow powder and belongs to the classes of Acetylenes and Acetylenic Carboxylic Acids & Their Derivatives.

Physical properties about this chemical are: (1)ACD/LogP: 0.85; (2)ACD/LogD (pH 5.5): -2.01; (3)ACD/LogD (pH 7.4): -2.86; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 0; (11)Polar Surface Area: 26.3 Å2; (12)Index of Refraction: 1.467; (13)Molar Refractivity: 20.15 cm3; (14)Molar Volume: 72.4 cm3; (15)Polarizability: 7.98 ×10-24cm3; (16)Surface Tension: 48.4 dyne/cm; (17)Density: 1.159 g/cm3; (18)Flash Point: 90.9 °C; (19)Enthalpy of Vaporization: 48.41 kJ/mol; (20)Boiling Point: 203 °C at 760 mmHg; (21)Vapour Pressure: 0.117 mmHg at 25°C.

Preparation of 2-Butynoic acid: it can be prepared by ethynedicarboxylic acid and H2O by heating to boiling. The equation as follows:

2-Butynoic acid can be prepared by ethynedicarboxylic acid and H2O by heating to boiling

Uses of 2-Butynoic acid: it can be used to produce dibromocrotonylic acid, ethoxycrotonylic acid, ethyl butynoate, butynoyl chloride and butynamide. And it can react with pyridin-2-ylamine to get 2-Aminopyridine 2-butynoate. This reaction will need solvent acetone. The reaction time is 30 minutes. The yield is about 93%.

2-Butynoic acid can react with pyridin-2-ylamine to get 2-Aminopyridine 2-butynoate

When you are using this chemical, please be cautious about it as the following:
This chemical can cause burns. And it is harmful by inhalation, in contact with skin and if swallowed.During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. And in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.). In addition, you should take off all contaminated clothing immediately.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(C#CC)O
(2)InChI: InChI=1/C4H4O2/c1-2-3-4(5)6/h1H3,(H,5,6)
(3)InChIKey: LUEHNHVFDCZTGL-UHFFFAOYAN

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