CAS 10441-41-5 1-(6-Hydroxy-2-naphthyl)ethan-1-one (HCID 82631)

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Basic information

CAS: 10441-41-5
Standard SMILES: CC(=O)c1ccc2cc(O)ccc2c1
InChIKey: IWRHUCBSLVVLJD-UHFFFAOYSA-N
Molecular formula: C12H10O2
Average molar mass: 186.21 g/mol
Monoisotopic mass: 186.06807956

Names & identifiers

Preferred name: 1-(6-Hydroxy-2-naphthyl)ethan-1-one
IUPAC: 1-(6-hydroxynaphthalen-2-yl)ethanone
English name: 1-(6-hydroxy-2-naphthyl)ethan-1-one
Molecular formula: C12H10O2
Molecular weight: 186.21

Names & synonyms

1-(6-Hydroxy-2-naphthyl)ethan-1-oneEINECS 233-923-4DTXSID50146467NSC 139891RefChem:426779DTXCID9068958233-923-410441-41-51-(6-hydroxynaphthalen-2-yl)ethanone1-(6-hydroxynaphthalen-2-yl)ethan-1-one6-ACETYL-2-NAPHTHOL1-(6-hydroxy-2-naphthyl)ethanone

Show more names

135354Naproxen Impurity 176-Acetyl-2-naphthol，98%ｍｉｎMethyl(6-hydroxy-2-naphtyl) ketone

MFCD001277091-(6-Hydroxy-2-naphthalenyl)ethanoneEthanone, 1-(6-hydroxy-2-naphthalenyl)-NSC139891Naproxen Impurity 522-hydroxy-6-acetylnaphthalene6-hydroxy-2-acetylnaphthaleneSCHEMBL1177919

Database identifiers

CAS: 10441-41-5
PubChem CID: 82631
DTXSID: DTXSID50146467
EC Number: 233-923-4
Nikkaji: J81.507A

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 224

Physicochemical properties

Melting point: 171 °C · 171 °C(Solv: benzene (71-43-2))
Boiling point: 370.1 · 370.1±15.0 °C(Predicted)
Density: 1.36 g/cm3 · 1.36 g/cm3
storage temp.: -20 °C · -20°C Freezer
solubility: Chloroform (Slightly, Heated, Sonicated), Methanol (Slightly)
form: Solid
pka: 8.75 · 8.75±0.40(Predicted)
color: Off-White to Pale Yellow
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 317 · H317-H319
Precautionary statements: 305 · P305+P351+P338-P280
HS Code: 2914409000 · 2914409000

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.