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| CAS No.: | 17610-21-8 |
|---|---|
| Name: | 1-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)ETHAN-1-ONE |
| Molecular Structure: | |
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| Formula: | C16H22O |
| Molecular Weight: | 230.35 |
| Synonyms: | 6-Acetyl-1,2,3,4-tetrahydro-1,1,4,4-tetramethylnaphthalene;2-Acetyl-5,6,7,8-tetrahydro-5,5,8,8-tetramethylnaphthalene;5,6,7,8-Tetrahydro-5,5,8,8-tetramethyl-2-acetylnaphthalene;2-Acetyl-5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalene;1,1,4,4-Tetramethyl-1,2,3,4-tetrahydro-6-acetylnaphthalene;2'-Acetonaphthone,5',6',7',8'-tetrahydro-5',5',8',8'-tetramethyl- (7CI,8CI); |
| Density: | 0.941 g/cm3 |
| Melting Point: | 26-27 °C(Solv: methanol (67-56-1)) |
| Boiling Point: | 335.4 °C at 760 mmHg |
| Flash Point: | 141.1 °C |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 17.07000 |
| LogP: | 4.23820 |
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Specification
The Ethanone, 1-(5, 6, 7, 8-tetrahydro-5, 5, 8, 8-tetramethyl-2-naphthalenyl)-, with the CAS registry number 17610-21-8, is also known as 1-(5, 5, 8, 8-Tetramethyl-5, 6, 7, 8-tetrahydronaphthalen-2-yl)ethan-1-one. This chemical's molecular formula is C16H22O and molecular weight is 230.35. What's more, its systematic name is 1-(5, 5, 8, 8-Tetramethyl-5, 6, 7, 8-tetrahydronaphthalen-2-yl)ethanone.
Physical properties about Ethanone, 1-(5, 6, 7, 8-tetrahydro-5, 5, 8, 8-tetramethyl-2-naphthalenyl)- are: (1)ACD/LogP: 5.42; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.42; (4)ACD/LogD (pH 7.4): 5.42; (5)ACD/BCF (pH 5.5): 7699.6; (6)ACD/BCF (pH 7.4): 7699.6; (7)ACD/KOC (pH 5.5): 21063.21; (8)ACD/KOC (pH 7.4): 21063.21; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.498; (14)Molar Refractivity: 71.7 cm3; (15)Molar Volume: 244.6 cm3; (16)Polarizability: 28.42×10-24 cm3; (17)Surface Tension: 32.6 dyne/cm; (18)Density: 0.941 g/cm3; (19)Flash Point: 141.1 °C; (20)Enthalpy of Vaporization: 57.85 kJ/mol; (21)Boiling Point: 335.4 °C at 760 mmHg; (22)Vapour Pressure: 0.00012 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact 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(c1ccc2c(c1)C(CCC2(C)C)(C)C)C
(2) InChI: InChI=1/C16H22O/c1-11(17)12-6-7-13-14(10-12)16(4,5)9-8-15(13,2)3/h6-7,10H,8-9H2,1-5H3
(3) InChIKey: IHUSZOMIBSDQTB-UHFFFAOYAH