(R)-(+)-1-(2-Naphthyl)ethanol

HCID 6976569

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Basic information

CAS: 52193-85-8
Standard SMILES: C[C@@H](O)c1ccc2ccccc2c1
InChIKey: AXRKCRWZRKETCK-SECBINFHSA-N
Molecular formula: C12H12O
Average molar mass: 172.22 g/mol
Monoisotopic mass: 172.088815

Names & identifiers

Preferred name: (R)-(+)-1-(2-Naphthyl)ethanol
IUPAC: (1R)-1-naphthalen-2-ylethanol
English name: (R)-(+)-alpha-Methyl-2-naphthalenemethanol
Molecular formula: C12H12O
Molecular weight: 172.22

Names & synonyms

52193-85-8(R)-(+)-1-(2-Naphthyl)ethanolDTXSID50426276RefChem:210797DTXCID70377110(R)-1-(Naphthalen-2-yl)ethanol(R)-(+)-alpha-Methyl-2-naphthalenemethanol(R)-1-(2-naphthyl)ethanol(1R)-1-naphthalen-2-ylethanol(1R)-1-(naphthalen-2-yl)ethan-1-olMFCD00075344CHEMBL206560

Show more names

(+)-2-Naphthyl-1-ethanol(1R)-1-(2-Naphthyl)ethanolR(+)-1-(2-NAPHTHYL)ETHANOL(R)-(+)-1-(2-Naphthyl)ethanol>(R)-(+)-1-(2-Naphthyl)ethanol 98%(R)-α-Methylnaphthalene-2-methanol(αR)-α-Methylnaphthalene-2-methanol

SY107397SCHEMBL445001SCHEMBL30552890AXRKCRWZRKETCK-SECBINFHSA-NBDBM50183596(+)-(R)-1-Naphthalen-2-ylethanolAKOS012670050AKOS015840846

Database identifiers

CAS: 52193-85-8
PubChem CID: 6976569
DTXSID: DTXSID50426276
ChEMBL: CHEMBL206560
Nikkaji: J53.214B

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: 68 · 68-70 °C (lit.)
Boiling point: 316.049 · 316.049±11.00 °C(Press: 760.00 Torr)(predicted)
Density: 1.113 · 1.113
refractive index: 40 ° · 40 ° (C=1, MeOH)
storage temp.: Sealed in dry,Room Temperature
solubility: soluble in Methanol,Toluene
form: powder to crystal
pka: 14.359 · 14.359±0.20(predicted)
color: White to Almost white
optical activity: 20 · [α]20/D +38°, c = 5 in ethanol
BRN: 3195952 · 3195952
InChI: InChI=1/C12H12O/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11/h2-9,13H,1H3/t9-/s3
InChIKey: AXRKCRWZRKETCK-DJEYLCQNNA-N
SMILES: C12C=CC=CC1=CC=C([C@H](O)C)C=2 |&1:9,r|
UNSPSC Code: 12352005 · 12352005
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P302+P352-P304+P340-P305+P351+P338
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: H302-H315-H319-H335
Precautionary statements: P261-P302+P352-P304+P340-P305+P351+P338

Chemistry & industry

Applications

Uses(R)-(+)-1-(2-Naphthyl)ethanol may be used to synthesize (S)-2-chloro-1-phenylethanol by reacting with 2-chloroacetophenone in the presence of a chiral bidentate titanium Lewis acid catalyst.