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1-Naphthalenol,2-methyl-, 1-acetate (5697-02-9)

Identification
Name:1-Naphthalenol,2-methyl-, 1-acetate
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;
CAS:5697-02-9
Molecular Formula: C13H12O2
Molecular Weight: 200.24
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
Molecular Structure: (C13H12O2) 1-Naphthalenol,2-methyl-, acetate (9CI);1-Naphthol, 2-methyl-, acetate (7CI,8CI);1-Acetoxy-2-methyln...
Properties
Melting Point: 82 °C
Flash Point: 112.7°C
Boiling Point: 319.4°Cat760mmHg
Density:1.128g/cm3
Refractive index:1.594
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

Flash Point: 112.7°C
Safety Data
 

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