Basic information
- CAS
1592-38-7- Standard SMILES
OCc1ccc2ccccc2c1- InChIKey
MFGWMAAZYZSWMY-UHFFFAOYSA-N- Molecular formula
- C11H10O
- Average molar mass
- 158.2 g/mol
- Monoisotopic mass
- 158.07316494
Overview
(2-naphthyl)methanol is a naphthylmethanol that is methanol in which one of the methyl hydrogens has been replaced by a (2-naphthyl) group. It has a role as a mouse metabolite and a xenobiotic metabolite.
Names & identifiers
- Preferred name
- 2-Naphthalenemethanol
- IUPAC
- naphthalen-2-ylmethanol
- English name
- 2-Naphthalenemethanol
- Molecular formula
- C11H10O
- Molecular weight
- 158.2
Names & synonyms
Show more names
Database identifiers
- CAS
1592-38-7- PubChem CID
- 74128
- DTXSID
DTXSID70166607- ChEMBL
CHEMBL150445- ChEBI
CHEBI:27615- UNII
- K38MJM7L9N
- EC Number
- 812-602-8
- Nikkaji
- J149.365E
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 144
Experimental & physicochemical properties
Physicochemical properties
- Melting point
- 79 · 79-81 °C (lit.)
- Boiling point
- 178 °C/12mmHg · 178°C/12mmHg(lit.)
- Density
- 0.9887 · 0.9887 (rough estimate)
- refractive index
- 1.544 · 1.5440 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Acetonitrile (Slightly), Chloroform (Slightly)
- form
- Crystalline Powder
- pka
- 14.29 · 14.29±0.10(Predicted)
- color
- White
- InChI
- InChI=1S/C11H10O/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7,12H,8H2
- InChIKey
- MFGWMAAZYZSWMY-UHFFFAOYSA-N
- SMILES
- C1=C2C(C=CC=C2)=CC=C1CO
- CAS DataBase Reference
- 1592 · 1592-38-7(CAS DataBase Reference)
- NIST Chemistry Reference
- 2 · 2-Naphthalenemethanol(1592-38-7)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 271 · P271-P261
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- Hazard Codes
- Xi,C,F
- Risk Statements
- 11 · 11-34
- Safety Statements
- 24 · 24/25-45-36/37/39-26-16
- WGK Germany
- 3 · 3
- HazardClass
- IRRITANT
- HS Code
- 29062990 · 29062990
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 29062990
- risk_code
- 11-34
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,C,F
- safety_code
- 24/25-45-36/37/39-26-16
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P271-P261
Chemistry & industry
Pharmacology
Applications
Uses2-Naphthalenemethanol was used as marker in the determination of critical micelle concentration of anionic surfactants by capillary electrophoresis. It was used in the synthesis of acetate protected xylosides.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
Additional notes
DefinitionChEBI: A naphthylmethanol that is methanol in which one of the methyl hydrogens has been replaced by a (2-naphthyl) group.
Related reactions
Compound notes
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