2-Heptyn-1-ol - CAS 1002-36-4
Catalog: |
BB000141 |
Product Name: |
2-Heptyn-1-ol |
CAS: |
1002-36-4 |
Synonyms: |
hept-2-yn-1-ol |
IUPAC Name: | hept-2-yn-1-ol |
Description: | 2-Heptyn-1-ol can be used to prepared to use as industrial microbicides. |
Molecular Weight: | 112.17 |
Molecular Formula: | C7H12O |
Canonical SMILES: | CCCCC#CCO |
InChI: | InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h8H,2-4,7H2,1H3 |
InChI Key: | OGDYROFIIXDTQK-UHFFFAOYSA-N |
Boiling Point: | 113 °C |
Purity: | 98.0 % |
Density: | 0.884 g/cm3 |
Appearance: | Colorless to yellow liquid |
Storage: | Sealed in dry, 2-8 °C |
MDL: | MFCD00039541 |
LogP: | 1.17230 |
GHS Hazard Statement: | H334 (97.44%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory] |
Precautionary Statement: | P261, P285, P304+P341, P342+P311, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
US-2021188800-A1 | Lanthionine c-like protein 2 ligands, cells prepared therewith, and therapies using same | 20191220 |
WO-2021127472-A1 | Lanthionine c-like protein 2 ligands, cells prepared therewith, and therapies using same | 20191220 |
CN-109456182-B | Synthesis of (5Z,7E) -dodeca-5, 7-dien-1-ol and its acetate and propionate | 20181116 |
EP-3784674-A1 | Tetrahydropyranooxazine derivatives having selective bace1 inhibitory activity | 20180427 |
TW-201938094-A | Cooking apparatus and cooling method that includes a transformer that generates a secondary-side output that is supplied to an antenna immersed in oil/fat to emit an electric field to the oil/fat | 20180302 |
Complexity: | 93.4 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 112.088815002 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 112.088815002 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 20.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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