CAS No.54464-57-2,1-(2,3,8,8-Tetramethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)ethanone Suppliers

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Basic Information

Molecular Structure:
CAS No.:	54464-57-2
Name:	1-(2,3,8,8-Tetramethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)ethanone
Article Data:	6

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.