2-Allylphenol - CAS 1745-81-9
Catalog: |
BB013025 |
Product Name: |
2-Allylphenol |
CAS: |
1745-81-9 |
Synonyms: |
o-Allylphenol; 2-(prop-2-en-1-yl)phenol; 2-allyl-phenol |
IUPAC Name: | 2-prop-2-enylphenol |
Description: | 2-Allylphenol has antifungal activity. |
Molecular Weight: | 134.18 |
Molecular Formula: | C9H10O |
Canonical SMILES: | C=CCC1=CC=CC=C1O |
InChI: | InChI=1S/C9H10O/c1-2-5-8-6-3-4-7-9(8)10/h2-4,6-7,10H,1,5H2 |
InChI Key: | QIRNGVVZBINFMX-UHFFFAOYSA-N |
Boiling Point: | 220 °C |
Melting Point: | -6 °C |
Flash Point: | 88 °C |
Purity: | 95 % |
Density: | 1.02 g/cm3 |
Appearance: | Clear colourless to light yellow liquid |
Storage: | Keep away from heat, sparks, and flame. Keep away from sources of ignition. Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00002250 |
LogP: | 2.12070 |
Refractive Index: | 1.55 |
Stability: | Stable under normal temperatures and pressures. |
Vapor Pressure: | 0.0783mmHg at 25°C |
GHS Hazard Statement: | H301 (75.71%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P260, P264, P270, P273, P280, P301+P310, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P361, P363, P391, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
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PMID | Publication Date | Title | Journal |
21870877 | 20111013 | Synthesis and characterization of high-affinity 4,4-difluoro-4-bora-3a,4a-diaza-s-indacene-labeled fluorescent ligands for human β-adrenoceptors | Journal of medicinal chemistry |
19902208 | 20100301 | Isolation of an unusual metabolite 2-allyloxyphenol from a marine actinobacterium, its biological activities and applications | Applied microbiology and biotechnology |
19685448 | 20091201 | Inhibitory effect of bionic fungicide 2-allylphenol on Botrytis cinerea (Pers. ex Fr.) in vitro | Pest management science |
18491853 | 20080612 | A theoretical study of pericyclic rearrangements catalyzed by lithium | The journal of physical chemistry. A |
18220360 | 20080304 | Chloroperoxidase, a janus enzyme | Biochemistry |
Complexity: | 109 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 134.073164938 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 134.073164938 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 20.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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