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2-Ethoxy-1-naphthoic acid

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Name

2-Ethoxy-1-naphthoic acid

EINECS 218-745-7
CAS No. 2224-00-2 Density 1.1652 (rough estimate)
PSA 46.53000 LogP 2.93670
Solubility N/A Melting Point 141-145 °C
Formula C13H12O3 Boiling Point 398.7 °C at 760 mmHg
Molecular Weight 216.236 Flash Point 156.2 °C
Transport Information N/A Appearance white to pale brown crystalline powder
Safety 24/25 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 2224-00-2 (2-ETHOXY-1-NAPHTHOIC ACID) Hazard Symbols Xi
Synonyms

1-Naphthoicacid, 2-ethoxy- (7CI,8CI);2-Ethoxy-1-naphthoic acid;

Article Data 11

2-Ethoxy-1-naphthoic acid Specification

This chemical is called 2-Ethoxy-1-naphthoic acid, and it can also be named as 1-naphthalenecarboxylic acid, 2-ethoxy-. With the molecular formula of C13H12O3, its molecular weight is 216.23. The CAS registry number of this chemical is 2224-00-2. Additionally, this chemical is white to pale brown crystalline powder.

Other characteristics of the 2-Ethoxy-1-naphthoic acid can be summarised as followings: (1)ACD/LogP: 3.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.46; (4)ACD/LogD (pH 7.4): 0.21; (5)ACD/BCF (pH 5.5): 2.78; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 22.26; (8)ACD/KOC (pH 7.4): 1.27; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.623; (14)Molar Refractivity: 62.33 cm3; (15)Molar Volume: 176.5 cm3; (16)Polarizability: 24.71×10-24cm3; (17)Surface Tension: 50 dyne/cm; (18)Density: 1.224 g/cm3; (19)Flash Point: 156.2 °C; (20)Enthalpy of Vaporization: 68.48 kJ/mol; (21)Boiling Point: 398.7 °C at 760 mmHg; (22)Vapour Pressure: 4.49E-07 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing to avoid contacting with skin and eyes. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure: 
1.SMILES: O=C(O)c1c2c(ccc1OCC)cccc2
2.InChI: InChI=1/C13H12O3/c1-2-16-11-8-7-9-5-3-4-6-10(9)12(11)13(14)15/h3-8H,2H2,1H3,(H,14,15)
3.InChIKey: MYFBSSDLYGWAHH-UHFFFAOYAT

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