α-Tetralone - CAS 529-34-0
Catalog: |
BB027992 |
Product Name: |
α-Tetralone |
CAS: |
529-34-0 |
Synonyms: |
3,4-dihydro-2H-naphthalen-1-one |
IUPAC Name: | 3,4-dihydro-2H-naphthalen-1-one |
Description: | α-Tetralone (CAS# 529-34-0) is a useful research chemical. |
Molecular Weight: | 146.19 |
Molecular Formula: | C10H10O |
Canonical SMILES: | C1CC2=CC=CC=C2C(=O)C1 |
InChI: | InChI=1S/C10H10O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6H,3,5,7H2 |
InChI Key: | XHLHPRDBBAGVEG-UHFFFAOYSA-N |
Boiling Point: | 127 °C (13 mmHg) |
Melting Point: | 41765 °C |
Flash Point: | 129 °C |
Purity: | 98 % |
Density: | 1.096 g/cm3 |
Solubility: | INSOL IN WATER |
Appearance: | Clear amber to brown oily liquid |
Storage: | 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: | MFCD00001688 |
LogP: | 2.20560 |
Vapor Pressure: | 0.01 [mmHg] |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P317, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020229848-A1 | Complexes | 20191219 |
US-2021179554-A1 | Onium salt compound, chemically amplified resist composition and patterning process | 20191212 |
WO-2021097139-A1 | Chiral synthesis of a tertiary alcohol | 20191115 |
WO-2021085321-A1 | Resin composition, resin sheet, cured film, method for manufacturing cured film, semiconductor device, organic el display device, and display device | 20191029 |
WO-2021073393-A1 | Phosphorescent host material and application thereof | 20191018 |
PMID | Publication Date | Title | Journal |
22985482 | 20121022 | Homology models of human all-trans retinoic acid metabolizing enzymes CYP26B1 and CYP26B1 spliced variant | Journal of chemical information and modeling |
22707414 | 20121001 | Novel pyrazole and indazole derivatives: synthesis and evaluation of their anti-proliferative and anti-angiogenic activities | Archiv der Pharmazie |
22818359 | 20121001 | Secondary metabolites from the stems of Engelhardia roxburghiana and their antitubercular activities | Phytochemistry |
22614099 | 20120801 | Enantioselective dynamic process reduction of α- and β-tetralone and stereoinversion of resulting alcohols in a selected strain culture | Current microbiology |
22663601 | 20120706 | Regioisomerism in the synthesis of a chiral aminotetralin drug compound: unraveling mechanistic details and diastereomer-specific in-depth NMR investigations | The Journal of organic chemistry |
Complexity: | 162 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 146.073164938 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 146.073164938 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 17.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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