5-Hexyn-1-ol - CAS 928-90-5
Catalog: |
BB040700 |
Product Name: |
5-Hexyn-1-ol |
CAS: |
928-90-5 |
Synonyms: |
1-Hexyn-6-ol; 1-Hydroxy-5-hexyne; 5-Hexynol; 5-Hexynyl alcohol; 6-Hydroxy-1-hexyne |
IUPAC Name: | hex-5-yn-1-ol |
Description: | 5-Hexyn-1-ol (CAS# 928-90-5) is used as a starting material in the synthesis of lactones with terminal alkyne groups, as well as other terminal alkynes. |
Molecular Weight: | 98.14 |
Molecular Formula: | C6H10O |
Canonical SMILES: | C#CCCCCO |
InChI: | InChI=1S/C6H10O/c1-2-3-4-5-6-7/h1,7H,3-6H2 |
InChI Key: | GOQJMMHTSOQIEI-UHFFFAOYSA-N |
Boiling Point: | 75°C |
Melting Point: | 172°C |
Purity: | 95% |
Density: | 0.902 g/cm3 |
Solubility: | Soluble in Water (Partly) |
Appearance: | Colorless to Pale Yellow Liquid |
Storage: | Store at 2-8°C under inert atmosphere |
MDL: | MFCD00002980 |
LogP: | 0.78220 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113480706-A | UV (ultraviolet) photocuring fluoride-free low-surface-energy material and preparation method thereof | 20210727 |
CN-112608236-A | Preparation method of 2-halogenated-2, 2-difluoroacetic acid alkynyl ester | 20200728 |
CN-111920959-A | ROS (reactive oxygen species) -responsive heparin polysaccharide nano prodrug compound based on click reaction, nano preparation, and preparation method and application thereof | 20200724 |
WO-2021209552-A1 | Pyrazolo[1,5-d][1,2,4]triazine-5(4h)-acetamides as inhibitors of the nlrp3 inflammasome pathway | 20200415 |
WO-2021188948-A1 | Mdm2 degraders and uses thereof | 20200319 |
PMID | Publication Date | Title | Journal |
21718062 | 20110819 | Synthesis and reactivity of cinnoline-fused cyclic enediyne | The Journal of organic chemistry |
18404502 | 20050601 | 2- and 8-alkynyl-9-ethyladenines: Synthesis and biological activity at human and rat adenosine receptors | Purinergic signalling |
Complexity: | 67.5 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 98.073164938 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 98.073164938 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 20.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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