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Cas Database |
| Name |
1-Acetoxy-2-met hoxynaphthalene |
EINECS | N/A |
| CAS No. | 5697-02-9 | Density | 1.128g/cm3 |
| PSA | 26.30000 | LogP | 3.07350 |
| Solubility | N/A | Melting Point |
82 °C |
| Formula | C13H12O2 | Boiling Point | 319.4 °C at 760 mmHg |
| Molecular Weight | 200.237 | Flash Point | 112.7 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 26 | Risk Codes | 36 |
| Molecular Structure |
|
Hazard Symbols | Xi |
| Synonyms |
1-Naphthalenol,2-methyl-, acetate (9CI);1-Naphthol, 2-methyl-, acetate (7CI,8CI);1-Acetoxy-2-methylnaphthalene;2-Methyl-1-naphthol acetate;2-Methyl-1-naphthylacetate; |
Article Data | 1 |
1-Acetoxy-2-met hoxynaphthalene Specification
The 1-Acetoxy-2-met hoxynaphthalene, with CAS registry number 5697-02-9, belongs to the following product categories: (1)Intermediates of Dyes and Pigments; (2)API intermediates. It has the systematic name of 2-methylnaphthalen-1-yl acetate. Besides this, it is also called 1-naphthalenol, 2-methyl-, acetate.
Physical properties about this chemical are: (1)ACD/LogP: 3.25; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 26.3 Å2; (7)Index of Refraction: 1.594; (8)Molar Refractivity: 60.26 cm3; (9)Molar Volume: 177.4 cm3; (10)Polarizability: 23.88×10-24cm3; (11)Surface Tension: 41.4 dyne/cm; (12)Enthalpy of Vaporization: 56.1 kJ/mol; (13)Vapour Pressure: 0.00034 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Oc2c(ccc1ccccc12)C)C
(2)InChI: InChI=1/C13H12O2/c1-9-7-8-11-5-3-4-6-12(11)13(9)15-10(2)14/h3-8H,1-2H3
(3)InChIKey: WVOAPRDRMLHUMI-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C13H12O2/c1-9-7-8-11-5-3-4-6-12(11)13(9)15-10(2)14/h3-8H,1-2H3
(5)Std. InChIKey: WVOAPRDRMLHUMI-UHFFFAOYSA-N
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