544000

5-Hexynoic acid

97%

• Synonym(s): 4-Ethynylbutyric acid, 5-Hexyn-1-oic acid
• Linear Formula: CH≡C(CH₂)₃CO₂H
• CAS Number: 53293-00-8
• Molecular Weight: 112.13
• Beilstein/REAXYS Number: 1743192
• MDL number: MFCD00066346
• UNSPSC Code: 12352100
• PubChem Substance ID: 24878284
• NACRES: NA.22

Properties

• assay: 97%
• refractive index: n20/D 1.449 (lit.)
• bp: 224-225 °C (lit.)
• density: 1.016 g/mL at 25 °C (lit.)
• SMILES string: OC(=O)CCCC#C
• InChI: 1S/C6H8O2/c1-2-3-4-5-6(7)8/h1H,3-5H2,(H,7,8)
• InChI key: VPFMEXRVUOPYRG-UHFFFAOYSA-N

Description

General description

5-Hexynoic acid is an alkynoic acid. It undergoes gold-catalyzed cyclization to form the corresponding methylene lactones.

Application

5-Hexynoic acid may be used in the preparation of:

• 5-hexynoic acid methyl ester
• 5,6-dicarba-closo-dodecaboranyl hexynoic acid
• 5,8,11-dodecatriynoic acid
• 5-isocyanato-1-pentyne

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H315,H319,H335
• pcodes: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 10 - Combustible liquids
• wgk_germany: WGK 3
• flash_point_f: 230.0 °F - closed cup
• flash_point_c: 110 °C - closed cup
• ppe: Eyeshields, Gloves, type ABEK (EN14387) respirator filter