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| CAS No.: | 1131-63-1 |
|---|---|
| Name: | 5,6,7,8-TETRAHYDRO-2-NAPHTHOIC ACID |
| Molecular Structure: | |
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|
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| Formula: | C11H12O2 |
| Molecular Weight: | 176.215 |
| Synonyms: | 2-Naphthoicacid, 5,6,7,8-tetrahydro- (6CI,7CI,8CI);1,2,3,4-Tetrahydronaphthalene-6-carboxylic acid;5,6,7,8-Tetrahydro-2-naphthalenecarboxylicacid;5,6,7,8-Tetrahydro-2-naphthoic acid;NSC 131342; |
| EINECS: | 214-469-6 |
| Density: | 1.184 g/cm3 |
| Melting Point: | 152-156 °C |
| Boiling Point: | 332.4 °C at 760 mmHg |
| Flash Point: | 152.5 °C |
| Hazard Symbols: |
 Xi, Xn
|
| Risk Codes: | 22 |
| PSA: | 37.30000 |
| LogP: | 2.26360 |
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Specification
The 5,6,7,8-Tetrahydro-2-naphthoicacid is an organic compound with the formula C11H12O2. The IUPAC name of this chemical is 5,6,7,8-tetrahydronaphthalene-2-carboxylic acid. With the CAS registry number 1131-63-1, it is also named as 1,2,3,4-Tetrahydronaphthalene-6-carboxylic acid.
Physical properties about 5,6,7,8-Tetrahydro-2-naphthoicacid are: (1)ACD/LogP: 3.58; (2)ACD/LogD (pH 5.5): 2.46; (3)ACD/LogD (pH 7.4): 0.82; (4)ACD/BCF (pH 5.5): 23.59; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 160.81; (7)ACD/KOC (pH 7.4): 3.66; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 26.3 Å2; (12)Index of Refraction: 1.586; (13)Molar Refractivity: 49.96 cm3; (14)Molar Volume: 148.7 cm3; (15)Polarizability: 19.8×10-24cm3; (16)Surface Tension: 49.9 dyne/cm; (17)Density: 1.184 g/cm3; (18)Flash Point: 152.5 °C; (19)Enthalpy of Vaporization: 60.71 kJ/mol; (20)Boiling Point: 332.4 °C at 760 mmHg; (21)Vapour Pressure: 5.81E-05 mmHg at 25°C.
Preparation: this chemical can be prepared by 1-(5,6,7,8-tetrahydro-[2]naphthyl)-ethanone. This reaction will need reagents dioxane, aqueous NaOH, aqueous iodo-KI solution.
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Uses of 5,6,7,8-Tetrahydro-2-naphthoicacid: it can be used to produce 5,6,7,8-tetrahydro-[2]naphthoic acid methyl ester by heating. It will need reagent conc. H2SO4. The yield is about 87%.
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You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1ccc2c(c1)CCCC2
(2)InChI: InChI=1/C11H12O2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h5-7H,1-4H2,(H,12,13)
(3)InChIKey: RSWXAGBBPCRION-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C11H12O2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h5-7H,1-4H2,(H,12,13)
(5)Std. InChIKey: RSWXAGBBPCRION-UHFFFAOYSA-N