alpha-Methylnaphthalene-2-methanol

HCID 98243CAS 7228-47-9

Substructure search Find similar structures

Basic information

Standard SMILES: CC(O)c1ccc2ccccc2c1
InChIKey: AXRKCRWZRKETCK-UHFFFAOYSA-N
Molecular formula: C12H12O
Average molar mass: 172.22 g/mol
Monoisotopic mass: 172.088815

Names & identifiers

Preferred name: alpha-Methylnaphthalene-2-methanol
IUPAC: 1-naphthalen-2-ylethanol
English name: 2-Naphthaleneethanol
Molecular formula: C12H12O
Molecular weight: 172.22

Names & synonyms

7228-47-9alpha-Methylnaphthalene-2-methanolRefChem:1076539230-630-31-(naphthalen-2-yl)ethanol1-(naphthalen-2-yl)ethan-1-ol40295-80-5(+/-)-1-(2-Naphthyl)ethanol1-naphthalen-2-ylethanolMFCD00004111NSC92277Maybridge4_000495

Show more names

AURORA KA-69572-NAPHTHYL ETHANOL1-(2-phthyl)ethanol2-NaphthaleneethanolMethyl 2-naphtylcarbinol1-(2-Naphthalene)ethanol1-(2-Naphthyl)ethanol>Methyl-2-naphthylcarbinol1-(2-Naphthalenyl)ethanol

SCHEMBL110360.alpha.-Methyl-2-naphthalenemethanolNSC-92277IDI1_031077alpha-Methyl-2-naphthalenemethanol, 98%AS-14347R10069Z335245116

Database identifiers

CAS: 7228-47-9
PubChem CID: 98243
DTXSID: DTXSID101373065
EC Number: 230-630-3
Nikkaji: J212.253G

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

Experimental & physicochemical properties

LogP2.68

Physicochemical properties

Melting point: 73 · 73-78 °C (lit.)
Boiling point: 180 · 180-184 °C (15 mmHg)
Density: 1.113 · 1.113±0.06 g/cm3(Predicted)
Flash point: 170 °C/13mm · 170°C/13mm
storage temp.: Sealed in dry,Room Temperature
solubility: soluble in Toluene
form: Powder
pka: 14.36 · 14.36±0.20(Predicted)
color: White to yellow
BRN: 1907449 · 1907449
InChI: InChI=1S/C12H12O/c13-8-7-10-5-6-11-3-1-2-4-12(11)9-10/h1-6,9,13H,7-8H2
InChIKey: VCZANYLMPFRUHG-UHFFFAOYSA-N
SMILES: C1=C2C(C=CC=C2)=CC=C1CCO
CAS DataBase Reference: 7228 · 7228-47-9(CAS DataBase Reference)
NIST Chemistry Reference: -2 · «ALPHA»-methyl-2-naphthalenemethanol(7228-47-9)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
PPE: 95 · Eyeshields, Gloves, type N95 (US)
Safety Statements: 22 · 22-24/25
WGK Germany: 3 · 3
HS Code: 2906290090 · 2906290090
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

Safety data

PPE: Eyeshields, Gloves, type N95 (US)
wgk: 3
hs_code: 2906290090
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-P280-P301+P312-P302+P352-P305+P351+P338

Chemistry & industry

Applications

Uses1-(Naphthalen-2-yl)ethanol is a reagent used in the chemical-enzymic preparation and resolution of β-naphthyl alcohols. A cinacalcet impurity.

General Descriptionα-Methyl-2-naphthalenemethanol forms complexes and multimers with methyl lactate. α-Methyl-2-naphthalenemethanol on reaction with sulfur trioxide-dimethylformamide complex and pyridine yields sulfated products.