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7228-47-9 molecular structure
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2-(naphthalen-1-yl)ethan-1-ol

ChemBase ID: 68936
Molecular Formular: C12H12O
Molecular Mass: 172.22308
Monoisotopic Mass: 172.088815
SMILES and InChIs

SMILES:
c1(cccc2ccccc12)CCO
Canonical SMILES:
OCCc1cccc2c1cccc2
InChI:
InChI=1S/C12H12O/c13-9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7,13H,8-9H2
InChIKey:
RXWNCMHRJCOWDK-UHFFFAOYSA-N

Cite this record

CBID:68936 http://www.chembase.cn/molecule-68936.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(naphthalen-1-yl)ethan-1-ol
IUPAC Traditional name
2-(naphthalen-1-yl)ethanol
Synonyms
2-(1-Naphthyl)ethanol
1-Naphthaleneethanol
1-(2-Hydroxyethyl)naphthalene
2-(α-Naphthyl)ethanol
2-Naphthalen-1-yl-ethanol
NSC 28342
2-(1-Naphthyl)ethanol
2-(1-Naphthyl)ethanol
1-Naphthaleneethanol
1-(2-Hydroxyethyl)naphthalene
2-Naphthaleneethanol
2-(1-萘基)乙醇
2-(1-萘基)乙醇
1-萘乙醇
CAS Number
7228-47-9
773-99-9
EC Number
212-260-4
MDL Number
MFCD00004050
PubChem SID
162034666
24851054
PubChem CID
13047

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.8458395  H Acceptors
H Donor LogD (pH = 5.5) 2.484034 
LogD (pH = 7.4) 2.484034  Log P 2.484034 
Molar Refractivity 54.0791 cm3 Polarizability 22.168518 Å3
Polar Surface Area 20.23 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Solubility
Acetone expand Show data source
Dichloromethane expand Show data source
Ethyl Acetate expand Show data source
Methanol expand Show data source
Apperance
Off-White Powder expand Show data source
Melting Point
58°C expand Show data source
60-64°C expand Show data source
62-65 °C(lit.) expand Show data source
Boiling Point
186 °C/17 mmHg(lit.) expand Show data source
186°C/17mm expand Show data source
Storage Warning
IRRITANT expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Gene Information
human ... BAD(572) expand Show data source
Purity
95% expand Show data source
95+% expand Show data source
97% expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
C10H7CH2CH2OH expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich TRC TRC
Sigma Aldrich - 183458 external link
Packaging
10, 50 g in poly bottle
Total impurities <5% 2-isomer
Toronto Research Chemicals - N378325 external link
2-(1-Naphthyl)ethanol is a toxic naphthalene derivative.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Schultz, T.E., et al.: Ecotoxicology and Environmental Safety, 7, 191 (1983)
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PATENTS

PATENTS

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INTERNET

INTERNET

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