| Identification | More | [Name]
5-HEXYNOIC ACID | [CAS]
53293-00-8 | [Synonyms]
5-HEXYNOIC ACID
HEX-5-YNOIC ACID
RARECHEM AL BO 1092
TIMTEC-BB SBB009090
5-Hexynoicacid,97% | [EINECS(EC#)]
610-982-8 | [Molecular Formula]
C6H8O2 | [MDL Number]
MFCD00066346 | [Molecular Weight]
112.13 | [MOL File]
53293-00-8.mol |
| Chemical Properties | Back Directory | [Appearance]
clear yellow liquid | [Melting point ]
27°C (estimate) | [Boiling point ]
224-225 °C(lit.)
| [density ]
1.016 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.449(lit.)
| [Fp ]
230 °F
| [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [solubility ]
Acetonitrile: Soluble: =10 mg/ml
Methanol: Soluble: =10 mg/ml | [form ]
Liquid | [pka]
4?+-.0.10(Predicted) | [color ]
yellow
| [Water Solubility ]
Miscible with water. | [BRN ]
1743192 | [InChI]
InChI=1S/C6H8O2/c1-2-3-4-5-6(7)8/h1H,3-5H2,(H,7,8) | [InChIKey]
VPFMEXRVUOPYRG-UHFFFAOYSA-N | [SMILES]
C(O)(=O)CCCC#C | [CAS DataBase Reference]
53293-00-8(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing . | [RIDADR ]
3265 | [WGK Germany ]
3
| [F ]
10-23 | [HazardClass ]
8 | [PackingGroup ]
III | [HS Code ]
29161900 | [Storage Class]
10 - Combustible liquids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
clear yellow liquid | [Uses]
5-Hexynoic acid is used in the preparation of hex-5-ynoic acid methyl ester by using p-toluenesulfonic acid as a reagent. It is also involved in chemical synthesis. | [Definition]
ChEBI: A hexynoic acid in which the triple bond is between the carbons at positions 5 and 6. | [General Description]
5-Hexynoic acid is an alkynoic acid. It undergoes gold-catalyzed cyclization to form the corresponding methylene lactones. | [References]
[1] KRITHIKA P KARTHIGEYAN. A bioorthogonal chemical reporter for fatty acid synthase-dependent protein acylation.[J]. The Journal of Biological Chemistry, 2021: 101272. DOI: 10.1016/j.jbc.2021.101272 |
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