2-Hexyn-1-ol - CAS 764-60-3
Catalog: |
BB035577 |
Product Name: |
2-Hexyn-1-ol |
CAS: |
764-60-3 |
Synonyms: |
hex-2-yn-1-ol |
IUPAC Name: | hex-2-yn-1-ol |
Description: | 2-Hexyn-1-ol (CAS# 764-60-3) is a propargyl alcohol that is naturally found as a volatile fragrance component of chestnut blossoms. 2-Hexyn-1-ol also has potential antifungal properties against Aspergillus oryzae, a fungus that is used to produce fermented foods and beverages in Japan. |
Molecular Weight: | 98.14 |
Molecular Formula: | C6H10O |
Canonical SMILES: | CCCC#CCO |
InChI: | InChI=1S/C6H10O/c1-2-3-4-5-6-7/h7H,2-3,6H2,1H3 |
InChI Key: | BTDWSZJDLLLTMI-UHFFFAOYSA-N |
Boiling Point: | 66-67 °C (10 mmHg) |
Purity: | 96.0 % (GC) |
Density: | 0.893 g/cm3 |
Appearance: | Colorless to yellow liquid |
LogP: | 0.78220 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
20546419 | 20100501 | Relation between developmental stage, sensory properties, and volatile content of organically and conventionally grown pac choi (Brassica rapa var. Mei Qing Choi) | Journal of food science |
19085425 | 20081201 | Solid phase microextraction of volatile organic compounds released from leaves, roots and gum of Astragalus microcephalus Willd., followed by GC and GC/MS analysis | Natural product research |
Complexity: | 82.8 |
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: | 1 |
Topological Polar Surface Area: | 20.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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