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| CAS No.: | 54464-57-2 |
|---|---|
| Name: | 1-(2,3,8,8-Tetramethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)ethanone |
| Molecular Structure: | |
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| Formula: | C16H26O |
| Molecular Weight: | 234.382 |
| Synonyms: | Ethanone,1-(1,2,3,4,5,6,7,8-octahydro-2,3,8,8-tetramethyl-2-naphthalenyl)-;1-(1,2,3,4,5,6,7,8-Octahydro-2,3,8,8-tetramethyl-2-naphthalenyl)ethanone;1',2',3',4',5',6',7',8'-Octahydro-2',3',8',8'-tetramethyl-2'-acetonaphthone;7-Acetyl-1,2,3,4,5,6,7,8-octahydro-1,1,6,7-tetramethylnaphthalene;Amberonne;Ambralux;Iso Ambois Super;Iso-E Super;Isocyclemone E;OTNE;Orbitone; |
| EINECS: | 259-174-3 |
| Density: | 0.95 g/cm3 |
| Boiling Point: | 312.2 °C at 760 mmHg |
| Flash Point: | 127.7 °C |
| Appearance: | Clear yellow liquid |
| PSA: | 17.07000 |
| LogP: | 4.51830 |
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Specification
The 1-(2,3,8,8-Tetramethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)ethanone with its cas register number is 54464-57-2. It also can be called as Ethanone, 1-(1,2,3,4,5,6,7,8-octahydro-2,3,8,8-tetramethyl-2-naphthalenyl)- and the IUPAC Name about this chemical is 1-(2,3,8,8-tetramethyl-1,3,4,5,6,7-hexahydronaphthalen-2-yl)ethanone. It belongs to the All Aliphatics and Aliphatics. This chemical can be used for synthetic woody odorantand it also can be used as scent in perfumes, laundry products and cosmetics.
Physical properties about 1-(2,3,8,8-Tetramethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)ethanone are:
(1)ACD/LogP:5.001; (2) # of Rule of 5 Violations:1; (3)ACD/LogD (pH 5.5):5.00; (4)ACD/LogD (pH 7.4):5.00; (5)ACD/BCF (pH 5.5):3720.35; (6)ACD/BCF (pH 7.4):3720.35; (7)ACD/KOC (pH 5.5):12514.63; (8)ACD/KOC (pH 7.4):12514.63; (9)#H bond acceptors:1; (10)#H bond donors:0; (11)#Freely Rotating Bonds:1; (12)Index of Refraction:1.493; (13)Molar Refractivity:71.604 cm3; (14)Molar Volume:246.33 cm3; (15)Polarizability:28.386 10-24cm3; (16)Surface Tension:32.4099998474121 dyne/cm; (17)Density:0.951 g/cm3; (18)Flash Point:127.665 °C; (19)Enthalpy of Vaporization:55.313 kJ/mol; (20)Boiling Point:312.161 °C at 760 mmHg; (21)Vapour Pressure:0.00100000004749745 mmHg at 25°C;
You can still convert the following datas into molecular structure:
(1)SMILES:O=C(C1(CC\2=C(/CC1C)CCCC/2(C)C)C)C;
(2)Std. InChI:InChI=1S/C16H26O/c1-11-9-13-7-6-8-15(3,4)14(13)10-16(11,5)12(2)17/h11H,6-10H2,1-5H3;
(3)Std. InChIKey:FVUGZKDGWGKCFE-UHFFFAOYSA-N.