β-Ionol - CAS 22029-76-1
Catalog: |
BB017305 |
Product Name: |
β-Ionol |
CAS: |
22029-76-1 |
Synonyms: |
(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ol |
IUPAC Name: | (E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ol |
Description: | β-Ionol (CAS# 22029-76-1 ) is a useful research chemical. |
Molecular Weight: | 194.31 |
Molecular Formula: | C13H22O |
Canonical SMILES: | CC1=C(C(CCC1)(C)C)C=CC(C)O |
InChI: | InChI=1S/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8,11,14H,5-6,9H2,1-4H3/b8-7+ |
InChI Key: | CNOPDZWOYFOHGN-BQYQJAHWSA-N |
Boiling Point: | 277.14 °C (EPI 4.0) |
Flash Point: | 105.7°C |
Purity: | 94.0 % |
Density: | 0.928 g/mL at 20 °C(lit.) |
Solubility: | Insoluble in water; soluble in alcohol. |
Appearance: | Colorless to pale yellow liquid |
Storage: | Store tightly sealed under inert gas in a cool, well-ventilated area. |
MDL: | MFCD00036597 |
LogP: | 3.45000 |
Refractive Index: | 1.496 : 1.502 at 20 deg C |
Publication Number | Title | Priority Date |
CN-113498874-A | Preparation method of heated cigarette with uniform alcohol release mouth by mouth | 20210811 |
CN-111763569-A | Fragrance-variable essence and flavor and synthesis method thereof | 20200710 |
CN-111657536-A | Method for improving tobacco leaf quality | 20200623 |
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WO-2021160670-A1 | 3'-ketoglycoside compound for the slow release of a volatile alcohol | 20200213 |
PMID | Publication Date | Title | Journal |
20730965 | 20100801 | Hedge mustard (Sisymbrium officinale): chemical diversity of volatiles and their antimicrobial activity | Chemistry & biodiversity |
19390852 | 20090901 | Glucose exerts a negative effect over a peroxidase from Trichosporon asahii, with carotenoid cleaving activity | Applied microbiology and biotechnology |
18776678 | 20080901 | Preparation of single-enantiomer biofunctional molecules with (S)-2-methoxy-2-(1-naphthyl)propanoic acid | Bioscience, biotechnology, and biochemistry |
18507345 | 20080201 | Chemical constituents from the leaves of Broussonetia papyrifera | Yao xue xue bao = Acta pharmaceutica Sinica |
15660215 | 20050801 | Bioconversion of lutein using a microbial mixture--maximizing the production of tobacco aroma compounds by manipulation of culture medium | Applied microbiology and biotechnology |
Complexity: | 258 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 194.167065321 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.167065321 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 20.2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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