1-(1-Naphthyl)ethanol

HCID 98030

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Basic information

CAS: 1517-72-2
Standard SMILES: CC(O)c1cccc2ccccc12
InChIKey: CDRQOYRPWJULJN-UHFFFAOYSA-N
Molecular formula: C12H12O
Average molar mass: 172.22 g/mol
Monoisotopic mass: 172.088815

Names & identifiers

Preferred name: 1-(1-Naphthyl)ethanol
IUPAC: 1-naphthalen-1-ylethanol
English name: 1-(1-Naphthyl)ethanol
Molecular formula: C12H12O
Molecular weight: 172.22

Names & synonyms

1-(1-Naphthyl)ethanol1517-72-2NaphthylethanolDTXSID501314821RefChem:1053760DTXCID40835176216-172-71-(naphthalen-1-yl)ethanol1-naphthalen-1-ylethanol(+/-)-1-(1-Naphthyl)ethanol1-(1-Hydroxyethyl)naphthaleneMFCD00016806

Show more names

AURORA KA-6960Cinacalcet Impurity 59A-NAPHTHYLMETHYLCARBINOL1-(1-Naphthyl)ethanol>1-NAPHTHALEN-1-YL-ETHANOL1-(1-naphthalenyl)ethanol1-Naphthalen-5-yl-ethanol(±)-1-(1-Naphthyl)ethanol

napthyl-ethanol1-Naphthalen-1-yl-ethanolNSC7001857605-95-5SCHEMBL110315CHEMBL3416130(S)-(-)-1-(1-Naphtyl)ethanolR-(-)-1-(1-Naphthalenyl)ethanol

Database identifiers

CAS: 1517-72-2
PubChem CID: 98030
DTXSID: DTXSID501314821
ChEMBL: CHEMBL3416130
EC Number: 216-172-7
Nikkaji: J206.727G

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 167

Physicochemical properties

Melting point: 63 · 63-65 °C
Boiling point: 133 °C · 133 °C / 3mmHg
Density: 1.113 · 1.113±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
form: powder to crystal
pka: 14.29 · 14.29±0.20(Predicted)
color: White to Light yellow
BRN: 1865349 · 1865349
InChI: 1S/C12H12O/c1-9(13)11-8-4-6-10-5-2-3-7-12(10)11/h2-9,13H,1H3
InChIKey: CDRQOYRPWJULJN-UHFFFAOYSA-N
SMILES: CC(O)c1cccc2ccccc12
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
PPE: 95 · Eyeshields, Gloves, type N95 (US)
Safety Statements: 22 · 22-24/25
WGK Germany: 3 · 3
HS Code: 2906.29 · 2906.29.6000
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

Safety data

PPE: Eyeshields, Gloves, type N95 (US)
wgk: 3
hs_code: 2906.29.6000
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 22-24/25
Storage Class: 11 - Combustible Solids
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

Chemistry & industry

Applications

Uses1-(1-Naphthyl)ethanol is a useful chemical in organic synthesis.Is used in preparation and catalytic activity of amine(imine)diphosphine Fe complexes for the asymmetric transfer hydrogenation of ketones,