1-Naphthaleneethanol - CAS 773-99-9
Catalog: |
BB035925 |
Product Name: |
1-Naphthaleneethanol |
CAS: |
773-99-9 |
Synonyms: |
1-(2-Hydroxyethyl)naphthalene; 2-(1-Naphthyl)ethanol; 2-(Naphthalen-1-yl)ethan-1-ol; 2-(α-Naphthyl)ethanol; 2-Naphthalen-1-yl-ethanol; NSC 28342 |
IUPAC Name: | 2-naphthalen-1-ylethanol |
Description: | 1-Naphthaleneethanol (CAS# 773-99-9) is a toxic naphthalene derivative. |
Molecular Weight: | 172.22 |
Molecular Formula: | C12H12O |
Canonical SMILES: | C1=CC=C2C(=C1)C=CC=C2CCO |
InChI: | InChI=1S/C12H12O/c13-9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7,13H,8-9H2 |
InChI Key: | RXWNCMHRJCOWDK-UHFFFAOYSA-N |
Boiling Point: | 125°C |
Melting Point: | 62°C |
Purity: | ≥95% |
Density: | 1.119±0.06 g/cm3 |
Solubility: | Soluble in Chloroform (Slightly), Methanol (Slightly) |
Appearance: | Off-white Solid |
Storage: | Store at 2-8°C |
MDL: | MFCD00004050 |
LogP: | 2.37460 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021110273-A1 | Encapsulated odorants based on natural amino acids | 20191205 |
WO-2021104624-A1 | Device and method for determining, analytically and by sensing, the release of an active substance from a release system | 20191127 |
WO-2021073736-A1 | New aromatic monothioketals as odoriferous substances | 20191016 |
WO-2021065796-A1 | Curable composition, cured material, and method for forming cured material | 20191002 |
WO-2021044879-A1 | Curable composition, film, optical film for luminescent display element, luminescent display element panel, and luminescent display device | 20190902 |
PMID | Publication Date | Title | Journal |
21931904 | 20111028 | The role of weak hydrogen bonds in chiral recognition | Physical chemistry chemical physics : PCCP |
21072411 | 20110121 | Structure-enantioselectivity effects in 3,4-dihydropyrimido[2,1-b]benzothiazole-based isothioureas as enantioselective acylation catalysts | Organic & biomolecular chemistry |
16482344 | 20060227 | Chiral recognition between lactic acid derivatives and an aromatic alcohol in a supersonic expansion: electronic and vibrational spectroscopy | Physical chemistry chemical physics : PCCP |
14690227 | 20031101 | Probing the binding dynamics to sodium cholate aggregates using naphthalene derivatives as guests | Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology |
12756199 | 20030601 | Enantioselectivity of human hydroxysteroid sulfotransferase ST2A3 with naphthyl-1-ethanols | Drug metabolism and disposition: the biological fate of chemicals |
Complexity: | 155 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 172.088815002 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 172.088815002 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 20.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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