Piperonyl alcohol - CAS 495-76-1
Catalog: |
BB026736 |
Product Name: |
Piperonyl alcohol |
CAS: |
495-76-1 |
Synonyms: |
1,3-benzodioxol-5-ylmethanol |
IUPAC Name: | 1,3-benzodioxol-5-ylmethanol |
Description: | Piperonyl alcohol (CAS# 495-76-1) is also used as a reagent in improving stability and antioxidant characteristics of sesame oil through spray-dried emulsions. |
Molecular Weight: | 152.15 |
Molecular Formula: | C8H8O3 |
Canonical SMILES: | C1OC2=C(O1)C=C(C=C2)CO |
InChI: | InChI=1S/C8H8O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-3,9H,4-5H2 |
InChI Key: | BHUIUXNAPJIDOG-UHFFFAOYSA-N |
Boiling Point: | 112 °C |
Melting Point: | 58 °C |
Purity: | 98 % |
Density: | 1.329 g/cm3 |
Solubility: | In water, 3.05X10+4 mg/L at 25 °C (est) |
Appearance: | White to yellow solid |
MDL: | MFCD00005836 |
LogP: | 0.90760 |
Stability: | Stable under recommended storage conditions |
Vapor Pressure: | 0.000254 [mmHg] |
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PMID | Publication Date | Title | Journal |
27986436 | 20170201 | Interaction of plant essential oil terpenoids with the southern cattle tick tyramine receptor: A potential biopesticide target | Chemico-biological interactions |
21579805 | 20100116 | 1-(1,3-Benzodioxol-5-yl)ethanone | Acta crystallographica. Section E, Structure reports online |
17904765 | 20080101 | Degradation of the neolignan, burchellin in the hemolymph of the bloodsucking insect Rhodnius prolixus | Fitoterapia |
18071954 | 20071101 | Benzodioxole derivative as coinitiator for dental resin | Acta odontologica Scandinavica |
15007421 | 20040321 | Thermodynamic study of sesamol, piperonyl alcohol, piperonylic acid and homopiperonylic acid: a combined experimental and theoretical investigation | Organic & biomolecular chemistry |
Complexity: | 137 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 152.047344113 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 152.047344113 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 38.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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