Common molecules sample 50916

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Empirical formula:	C₂₁H₃₆N₂O₃
a:	12.104 Å
b:	6.860 Å
c:	27.186 Å
α (alpha):	90.00 °
β (beta):	93.46 °
γ (gamma):	90.00 °
Volume:	2253.23 Å³
Space group:	P21/c
Calculated density:	1.075 g/cm³
Z:	4
Temperature:	22.0 °C
Formula weight:	364.529 g/mole
R(F):	0.0930
Structural formula:	C₇H₈O₁, C₁₄H₂₈N₂O₂
CSD refcode:	DUGRIG
Empirical formula - less solvent:	C₇H₈O₁
Short description:	m-Cresol, a possible toxic carcinogen, has many applications in industry.
Common name:	m-Cresol
Keyword:	carcinogen
Keyword:	disinfectant
Keyword:	fumigants
Keyword:	plasticizer
IUPAC name:	N,N,N',N'-tetraisopropyloxamide
Layman's explanation:	M-Cresol is obtained from coal tar or petroleum as a clear to amber colored liquid or semi-solid. M-cresol has many applications such as plasticizers, gasoline additives, making explosives, pigments, disinfectants, antioxidants, fumigants and pharmaceutical intermediates. This aromatic compound has a phenolic odor and is even used in perfumes. Recent studies done by the U.S. National Toxicology Program have revealed that m-cresol is actually slightly to moderately toxic and the U.S. Environmental Protection Agency has declared that m-cresol is a possible carcinogen. m-cresol is currently not banned in the United States, however current research is focusing on its possible toxicity and cancer causing properties.
Citation of a publication:	F.Toda, Y.Tagami, T.C.W.Mak; Bull.Chem.Soc.Jpn., 59, (1986), 1189
Lab name:	Common molecules
Sample provider:	Obtained courtesy of the Cambridge Structural Database
Status:	Complete, visible to public

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Repository Files:
50916.cif	50916.crt	50916.gif	50916.pdb	50916.sdt