4071-63-0

Basic information

• Product Name: 4,4a,5,6,7,8-hexahydro-4a,8-dimethylnaphthalen-2(3H)-one
• Synonyms: 4,4a,5,6,7,8-hexahydro-4a,8-dimethylnaphthalen-2(3H)-one;4,4a,5,6,7,8-Hexahydro-4a,8-dimethyl-2(3H)-naphthalenone;Einecs 223-782-7
• CAS NO: 4071-63-0
• Molecular Formula: C₁₂H₁₈O
• Molecular Weight: 178.27072
• EINECS: 223-782-7
• Mol File: 4071-63-0.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 277.6°C at 760 mmHg
• Flash Point: 115.7°C
• Appearance: /
• Density: 0.98g/cm³
• Vapor Pressure: 0.00447mmHg at 25°C
• Refractive Index: 1.502
• CAS DataBase Reference: 4,4a,5,6,7,8-hexahydro-4a,8-dimethylnaphthalen-2(3H)-one(CAS DataBase Reference)
• NIST Chemistry Reference: 4,4a,5,6,7,8-hexahydro-4a,8-dimethylnaphthalen-2(3H)-one(4071-63-0)
• EPA Substance Registry System: 4,4a,5,6,7,8-hexahydro-4a,8-dimethylnaphthalen-2(3H)-one(4071-63-0)

Safety Data

• Hazardous Substances Data: 4071-63-0(Hazardous Substances Data)

Usage

InChI:InChI=1/C12H18O/c1-9-4-3-6-12(2)7-5-10(13)8-11(9)12/h8-9H,3-7H2,1-2H3

Upstream product

• 4071-74-3 2,6-dimethyl-2-(3-oxobutyl)cyclohexanone 
• 63547-53-5 2,6-dimethyl-1-(trimethylsiloxy)cyclohexene 
• 2816-57-1 2,6-dimethylcyclohexanone 

Relevant articles and documents

8,16- And 8,18-methanobacteriorhodopsin. Synthesis and spectroscopy of 8,16- and 8,18-methanoretinal and their interaction with bacterioopsin

8,16- And 8,18-methanoretinal with a locked 6-s-trans and a 6-s-cis conformation have been synthesized and characterized.Their 9-Z and 13-Z isomers could also be prepared, in contrast to the 11-Z. 8,16-Methanoretinal easily binds with bacterioopsin (bO) to form a bacteriorhodopsin analogue which closely resembles natural bacteriorhodopsin (bR) (λmax, light-dark adaptation and proton pump action).The interaction of 8,18-methanoretinal with bO is complex.These findings give additional support to the fact that in bR the chromophore occurs in the planar 6-s-trans conformation.Approximately 1200 cm-1 of the opsin shift in bR (5100 cm-1) arises because the chromophore changes upon binding to the protein from a 40 deg twisted 6-s-cis to a planar 6-s-trans conformation.Both 8,16- and 8,18-methano bR have a ca. 3900 cm-1 opsin shift, since the C6-C7 conformation does not allow protein-induced changes.This is consistent with the idea that the opsin shift is mainly due to the perturbation of the Schiff base region.

Tetramethyl-hexahydroacetonaphthones

Described are hexahydrotetramethyl acetonaphthones and mixtures of such substituted acetonaphthones having the generic formula: STR1 wherein one of the dashed lines is a carbon-carbon double bond and each of the other of the dashed lines is a carbon-carbon single bond. The products produced are useful as vetiver ingredients in perfumes and perfumed articles.