alpha-Methylnaphthalene-2-methanol
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Basic information
- CAS
7228-47-9- 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 propertiesFilling in
- XLogP
- 3
- Topological polar surface area
- 20.2 Ų
- 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
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
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.
Upstream & downstream products
Downstream products
Related reactions
10 records
Compound notes
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