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| CAS No.: | 24157-81-1 |
|---|---|
| Name: | 2,6-DIISOPROPYLNAPHTHALENE |
| Article Data: | 22 |
| Molecular Structure: | |
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| Formula: | C16H20 |
| Molecular Weight: | 212.335 |
| Synonyms: | Naphthalene,2,6-diisopropyl- (6CI,8CI);2,6-Diisopropylnaphthaline;NSC 166467; |
| EINECS: | 246-045-1 |
| Density: | 0.949 g/cm3 |
| Melting Point: | 67-70 °C |
| Boiling Point: | 305.8 °C at 760 mmHg |
| Flash Point: | 140 °C |
| Solubility: | Insoluble in water |
| Appearance: | beige crystalline platelets |
| Hazard Symbols: | Xn,N |
| Risk Codes: | 22-50/53 |
| Safety: | 24/25 |
| Transport Information: | UN 3077 |
| PSA: | 0.00000 |
| LogP: | 5.08660 |
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Specification
The Naphthalene,2,6-bis(1-methylethyl)-, with the CAS registry number 24157-81-1, is also known as 2,6-Diisopropylnaphthalene. It belongs to the product categories of Color Former & Related Compounds; Functional Materials; Sensitizer. Its EINECS registry number is 246-045-1. This chemical's molecular formula is C16H20 and molecular weight is 212.33. Its IUPAC name is called 2,6-di(propan-2-yl)naphthalene. When you are using this chemical, please be cautious about it. You must avoid contacting it with skin and eyes.
Physical properties of Naphthalene,2,6-bis(1-methylethyl)-: (1)ACD/LogP: 6.13; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.13; (4)ACD/LogD (pH 7.4): 6.13; (5)ACD/BCF (pH 5.5): 26682.89; (6)ACD/BCF (pH 7.4): 26682.89; (7)ACD/KOC (pH 5.5): 51272.23; (8)ACD/KOC (pH 7.4): 51272.23; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.561; (11)Molar Refractivity: 72.46 cm3; (12)Molar Volume: 223.6 cm3; (13)Surface Tension: 34.2 dyne/cm; (14)Density: 0.949 g/cm3; (15)Flash Point: 142.5 °C; (16)Enthalpy of Vaporization: 52.45 kJ/mol; (17)Boiling Point: 305.8 °C at 760 mmHg; (18)Vapour Pressure: 0.00145 mmHg at 25°C.
Uses of Naphthalene,2,6-bis(1-methylethyl)-: it can be used to produce naphthalene-2,6-diol at temperature of 75 °C. This reaction will need reagent air-O2, N-hydroxyphthalimide, a,a'-azobisisobutyronitrile, aq. H2SO4 and solvent acetonitrile with reaction time of 21 hours. The yield is about 92%.
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You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)C1=CC2=C(C=C1)C=C(C=C2)C(C)C
(2)InChI: InChI=1S/C16H20/c1-11(2)13-5-7-16-10-14(12(3)4)6-8-15(16)9-13/h5-12H,1-4H3
(3)InChIKey: GWLLTEXUIOFAFE-UHFFFAOYSA-N