Hexamethylbenzene - CAS 87-85-4

Catalog:	BB038660
Product Name:	Hexamethylbenzene
CAS:	87-85-4
Synonyms:	1,2,3,4,5,6-hexamethylbenzene

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Computed Properties

IUPAC Name:	1,2,3,4,5,6-hexamethylbenzene
Description:	Hexamethylbenzene (CAS# 87-85-4) is a useful research chemical compound.
Molecular Weight:	162.27
Molecular Formula:	C12H18
Canonical SMILES:	CC1=C(C(=C(C(=C1C)C)C)C)C
InChI:	InChI=1S/C12H18/c1-7-8(2)10(4)12(6)11(5)9(7)3/h1-6H3
InChI Key:	YUWFEBAXEOLKSG-UHFFFAOYSA-N
Boiling Point:	264 °C
Melting Point:	165-168 °C
Purity:	95 %
Density:	1.063 g/cm³
Appearance:	White powder or crystals
MDL:	MFCD00008523
LogP:	3.53700
Vapor Pressure:	0.00086 [mmHg]

Publication Number	Title	Priority Date
US-2015368168-A1	Options to reduce fouling in mto downstream recovery	20140624
WO-2015199825-A1	Options to reduce fouling in mto downstream recovery	20140624
US-2015314244-A1	Membranes for gas separation synthesized from polyimides containing 2-fluoro-2',2''-diaminotriphenylmethane in their chemical structure	20140430
EP-2933274-A1	Method for the production of polymers by means of ring-opening polymerisation	20140416
US-2015299362-A1	Process for preparing polymers by means of ring-opening polymerization	20140416

PMID	Publication Date	Title	Journal
23123342	20130101	Ruthenium arene complexes as HIV-1 integrase strand transfer inhibitors	Journal of inorganic biochemistry
22791215	20121001	Bipyrimidine ruthenium(II) arene complexes: structure, reactivity and cytotoxicity	Journal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry
22439588	20120906	Structural dynamics of a noncovalent charge transfer complex from femtosecond stimulated Raman spectroscopy	The journal of physical chemistry. B
22707191	20120801	Highly cytotoxic trithiophenolatodiruthenium complexes of the type [(η6-p-MeC6H4Pri)2Ru2(SC6H4-p-X)3]+: synthesis, molecular structure, electrochemistry, cytotoxicity, and glutathione oxidation potential	Journal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry
22195640	20120621	Prompt HO2 formation following the reaction of OH with aromatic compounds under atmospheric conditions	The journal of physical chemistry. A

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GHS Hazard Statement:	H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
Precautionary Statement:	P261, P271, P280, P302+P352, P304+P312, P304+P340, P312, P322, P363, and P501
Signal Word:	Warning

Complexity:	91.6
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	162.140850574
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	162.140850574
Rotatable Bond Count:	0
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.6