58848-15-0

Basic information

• Product Name: 1,1,4,4,6,7-hexamethyltetralin
• Synonyms: 1,1,4,4,6,7-hexamethyltetralin
• CAS NO: 58848-15-0
• Molecular Formula: C16H24
• Molecular Weight: 216.36
• Mol File: 58848-15-0.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 286.8°C at 760 mmHg
• Flash Point: 124.1°C
• Appearance: /
• Density: 0.88g/cm³
• Vapor Pressure: 0.00445mmHg at 25°C
• Refractive Index: 1.492
• CAS DataBase Reference: 1,1,4,4,6,7-hexamethyltetralin(CAS DataBase Reference)
• NIST Chemistry Reference: 1,1,4,4,6,7-hexamethyltetralin(58848-15-0)
• EPA Substance Registry System: 1,1,4,4,6,7-hexamethyltetralin(58848-15-0)

Safety Data

• Hazardous Substances Data: 58848-15-0(Hazardous Substances Data)

Usage

Chemical class

Polycyclic aromatic hydrocarbons

Physical state

Colorless liquid

Odor

Powerful

Primary use

Fragrance ingredient in cosmetics and household products

Additional use

Insect repellent

Stability

Relatively stable and non-reactive under normal conditions

Health and environmental risk

May pose a risk if not handled properly

Chemical structure

Fused ring system with six methyl groups attached to different positions

Unique properties

Aromatic and insect-repelling due to the methyl groups' arrangement

InChI:InChI=1/C16H24/c1-11-9-13-14(10-12(11)2)16(5,6)8-7-15(13,3)4/h9-10H,7-8H2,1-6H3

Upstream product

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Relevant articles and documents

An experimental and computational study on isomerically pure, soluble azaphthalocyanines and their complexes and boron azasubphthalocyanines of a varying number of aza units

Herein, we present a series of isomerically pure, peripherally alkyl substituted, soluble and low aggregating azaphthalocyanines as well as their new, smaller hybrid homologues, azasubphthalocyanines. The focus lies on the effect of the systematically increasing number of aza building blocks [-N] replacing the non-peripheral [-CH] units and their influence on the physical and photophysical properties of these chromophores. The absolute and relative HOMO-LUMO energies of azaphthalocyanines were analyzed using UV-Vis and CV and compared to the density functional theory calculations (B3LYP, TD-DFT). The lowering of the HOMO level is revealed as the determining factor for the trend in the adsorption energies by electronic structure analysis. Crystals of substituted subphthalocyanines, N2-Pc?H2 and N4-[Pc?Zn·H2O], were obtained out of DCM. For the synthesis of the valuable tetramethyltetralin phthalocyanine building block a new highly efficient synthesis involving a nearly quantitative CoII catalyzed aerobic autoxidation step is introduced replacing inefficient KMnO4/pyridine as the oxidant.

New Aromatic Musk Odorants: Design and Synthesis

By appropriate structural modification of known musk odorants, new strong musk odorants have been discovered.Incorporation of supplementary CH3 or CH2 groups into the basic musk skeleton of type G only slightly modifies the global shape of the molecule but leads to densely packed structures of enhanced lipophilicity.For the consturction of these highly substituted 1,2,3,4-tetrahydrohaphthalenes, new annulation sequences (intramolecular mono- and dialkylations; see Schemes 3, 6, and 8) have been developed and, in certain cases, the design of the target molecules was dictated by both structure-activity-realationship and synthetic considerations (e. g. 46 and 47, Scheme 6).This work also presents an original solution to an analytical problem: the distinction between a C2- and a Cs-symmetrical aromatic hydrocarbon (viz. 71 and 72) by conversion into a complex.