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Cas Database |
| Name |
1,2,3,4-Tetrahydro-1,1,4,4-tetramethylnaphthalene |
EINECS | 229-723-1 |
| CAS No. | 6683-46-1 | Density | 0.883 g/cm3 |
| PSA | 0.00000 | LogP | 4.03560 |
| Solubility | N/A | Melting Point |
115-120℃ |
| Formula | C14H20 | Boiling Point | 250.6 °C at 760 mmHg |
| Molecular Weight | 188.313 | Flash Point | 101.2 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 23-26-36/37/39 | Risk Codes | 20/21-36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
1,1,4,4-Tetramethyl-1,2,3,4-tetrahydronaphthalene;1,1,4,4-Tetramethyltetralin;NSC 17400; |
Article Data | 28 |
1,2,3,4-Tetrahydro-1,1,4,4-tetramethylnaphthalene Synthetic route
- 110-03-2
2,5-dimethyl-2,5-hexanediol
- 71-43-2
benzene
- 6683-46-1
1,1,4,4-Tetramethyl-1,2,3,4-tetrahydro-naphthalene
| Conditions | Yield |
|---|---|
| With aluminium trichloride at 55℃; for 6h; | 99% |
- 6223-78-5
2,5-dichloro-2,5-dimethyl hexane
- 71-43-2
benzene
- 6683-46-1
1,1,4,4-Tetramethyl-1,2,3,4-tetrahydro-naphthalene
| Conditions | Yield |
|---|---|
| With aluminum (III) chloride for 16h; Reflux; | 91% |
| With aluminum (III) chloride for 16h; Reflux; Inert atmosphere; | 88% |
| With aluminum (III) chloride Friedel-Crafts Alkylation; Reflux; Inert atmosphere; | 82% |
- 6223-78-5
2,5-dichloro-2,5-dimethyl hexane
- 6683-46-1
1,1,4,4-Tetramethyl-1,2,3,4-tetrahydro-naphthalene
| Conditions | Yield |
|---|---|
| With bromine; sodium hydrogencarbonate; aluminium trichloride In benzene | 63% |
| In aluminium trichloride; benzene | |
| In aluminium trichloride; benzene | |
| In aluminium trichloride; benzene | |
| In aluminium trichloride; benzene |
- 6683-46-1
1,1,4,4-Tetramethyl-1,2,3,4-tetrahydro-naphthalene
| Conditions | Yield |
|---|---|
| In diethyl ether Pyrolysis of the Fe compd. by heating in vacuo, collecting the volatiles on a cold finger at -78°C.; The yellowish sublimate is dissolved in Et2O and purified (alumina), the solvent is removed to afford a clear colourless oil.; | 45% |
- 97595-53-4
1,1,4,4-Tetramethyl-tetralon-(2)-aethylenthioketal
- 6683-46-1
1,1,4,4-Tetramethyl-1,2,3,4-tetrahydro-naphthalene
| Conditions | Yield |
|---|---|
| With nickel In ethanol |
- 51510-58-8
2,5-Dimethyl-5-phenyl-2-hexanol
- 6683-46-1
1,1,4,4-Tetramethyl-1,2,3,4-tetrahydro-naphthalene
| Conditions | Yield |
|---|---|
| With sulfuric acid |
- 7446-70-0
aluminium trichloride
- 110-03-2
2,5-dimethyl-2,5-hexanediol
- 71-43-2
benzene
A
- 6683-46-1
1,1,4,4-Tetramethyl-1,2,3,4-tetrahydro-naphthalene
B
- 22306-30-5
1,1,4,4,5,5,8,8-octamethyl-1,2,3,4,5,6,7,8-octahydroanthracene
- 7446-70-0
aluminium trichloride
- 6223-78-5
2,5-dichloro-2,5-dimethyl hexane
- 71-43-2
benzene
- 6683-46-1
1,1,4,4-Tetramethyl-1,2,3,4-tetrahydro-naphthalene
| Conditions | Yield |
|---|---|
| mit viel AlCl3; dann bei Siedetemperatur; reagiert Analog mit anderen aromatischen Kohlenwasserstoffen; |
| Conditions | Yield |
|---|---|
| at 350 - 375℃; |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: conc. HCl, HCl gas / 0.25 h / 0 °C 2: 81.9 percent / AlCl3 / 24 h / Heating View Scheme | |
| Multi-step reaction with 2 steps 1: HCl 2: AlCl3 View Scheme | |
| Multi-step reaction with 2 steps 1: hydrogenchloride / ethanol 2: aluminum (III) chloride View Scheme |
1,2,3,4-Tetrahydro-1,1,4,4-tetramethylnaphthalene Specification
The 1,1,4,4-Tetramethyltetralin, with the CAS registry number 6683-46-1, is also known as naphthalene, 1,2,3,4-tetrahydro-1,1,4,4-tetramethyl-. Its molecular formula is C14H20 and its molecular weight is 188.3086. Additionally, it has the systematic name 1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthalene.
Other characteristics of the 1,1,4,4-Tetramethyltetralin can be summarised as followings: (1)ACD/LogP: 5.97; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.97; (4)ACD/LogD (pH 7.4): 5.97; (5)ACD/BCF (pH 5.5): 20277.3; (6)ACD/BCF (pH 7.4): 20277.3; (7)ACD/KOC (pH 5.5): 42125.41; (8)ACD/KOC (pH 7.4): 42125.41; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.49; (13)Molar Refractivity: 61.68 cm3; (14)Molar Volume: 213 cm3; (15)Polarizability: 24.45×10-24cm3; (16)Surface Tension: 30.2 dyne/cm; (17)Density: 0.883 g/cm3; (18)Flash Point: 101.2 °C; (19)Enthalpy of Vaporization: 46.82 kJ/mol; (20)Boiling Point: 250.6 °C at 760 mmHg; (21)Vapour Pressure: 0.034 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: c1ccc2c(c1)C(CCC2(C)C)(C)C
2.InChI: InChI=1/C14H20/c1-13(2)9-10-14(3,4)12-8-6-5-7-11(12)13/h5-8H,9-10H2,1-4H3
3.InChIKey: CCQKWSZYTOCEIB-UHFFFAOYAG
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