544000
5-Hexynoic acid
97%
Synonym(s):
4-Ethynylbutyric acid, 5-Hexyn-1-oic acid
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About This Item
Linear Formula:
CH≡C(CH2)3CO2H
CAS Number:
Molecular Weight:
112.13
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
MDL number:
Beilstein/REAXYS Number:
1743192
Assay:
97%
InChI
1S/C6H8O2/c1-2-3-4-5-6(7)8/h1H,3-5H2,(H,7,8)
SMILES string
OC(=O)CCCC#C
InChI key
VPFMEXRVUOPYRG-UHFFFAOYSA-N
assay
97%
Quality Level
refractive index
n20/D 1.449 (lit.)
bp
224-225 °C (lit.)
density
1.016 g/mL at 25 °C (lit.)
functional group
carboxylic acid
Related Categories
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
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
10 - Combustible liquids
wgk
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
Regulatory Information
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