naphthalen-2-yl acetate

• ChemBase ID: 102291
• Molecular Formular: C12H10O2
• Molecular Mass: 186.2066
• Monoisotopic Mass: 186.06807956
• SMILES: CC(=O)Oc1ccc2ccccc2c1
• Canonical SMILES: CC(=O)Oc1ccc2c(c1)cccc2
• InChI: InChI=1S/C12H10O2/c1-9(13)14-12-7-6-10-4-2-3-5-11(10)8-12/h2-8H,1H3
• InChIKey: RJNPPEUAJCEUPV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: naphthalen-2-yl acetate
• IUPAC Traditional name: naphthalen-2-yl acetate
• Synonyms: 2-Naphthyl acetate; 2-Naphthyl acetate; β-NAPHTHYL ACETATE; Acetic acid 2-naphthyl ester; β-Naphthyl acetate; Naphthalen-2-yl acetate; 乙酸-β-萘酯; 乙酸-2-萘酯; 2-萘基 乙酯

Database IDs

• CAS Number: 1523-11-1
• EC Number: 216-194-7
• MDL Number: MFCD00004060
• Beilstein Number: 1868291
• PubChem SID: 162089563; 24897794
• PubChem CID: 73709

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.5699835
• LogD (pH = 7.4): 2.5699835
• Log P: 2.5699835
• Molar Refractivity: 53.6406 cm^3
• Polarizability: 22.300406 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 67-70 °C(lit.); 68-70°C

Safety Information

• Storage Condition: 0°C
• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 41
• Safety Statements: 26-39
• TSCA Listed: 是
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H318
• GHS Precautionary statements: P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: -20°C

Product Information

• Purity: 97%; 98%; 99%
• Description: esterase substrate
• Impurities: <0.2% Free naphthol
• Extent of Labeling: <0.2% free naphthol
• Linear Formula: CH3CO2C10H7

DETAILS

MP Biomedicals - 05216277

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02100990

β-Naphthol Free
Crystalline
Substrate for carboxylesterase.

Sigma Aldrich - N6875

包装
5 g in poly bottle

REFERENCES

• Parkkinen, E., Cell Mol. Biol. , 26 : 147 (1980).