tert-Butyl ethyl ether - CAS 637-92-3

Name: tert-Butyl ethyl ether
Brand: BOC Sciences
Rating: 5 (1 reviews)

Technical Data

IUPAC Name:	2-ethoxy-2-methylpropane
Description:	tert-Butyl ethyl ether (CAS# 637-92-3) is a compound useful in organic synthesis.
Molecular Weight:	102.17
Molecular Formula:	C6H14O
Canonical SMILES:	CCOC(C)(C)C
InChI:	InChI=1S/C6H14O/c1-5-7-6(2,3)4/h5H2,1-4H3
InChI Key:	NUMQCACRALPSHD-UHFFFAOYSA-N
Boiling Point:	73.1 °C
Melting Point:	-137 °F
Flash Point:	-3 °F
Density:	0.742 g/mL at 25°C(lit.)
Solubility:	less than 1 mg/mL at 70 °F
Appearance:	Liquid
Decomposition:	When heated to decomposition it emits acrid smoke and irritating vapors
MDL:	MFCD00009225
LogP:	1.82140
Stability:	Stable under recommended storage conditions
Vapor Pressure:	10 mmHg at 77 °F ; 185 mmHg at 122 °F; 447 mmHg at 158 °F

GHS Hazard Statement:	H224 (15.17%): Extremely flammable liquid and vapor [Danger Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word:	Danger

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PMID	Publication Date	Title	Journal
24448831	20140401	Assessment of the reproductive toxicity of inhalation exposure to ethyl tertiary butyl ether in male mice with normal, low active and inactive ALDH2	Archives of toxicology
24090815	20131201	Mode of action of ethyl tertiary-butyl ether hepatotumorigenicity in the rat: evidence for a role of oxidative stress via activation of CAR, PXR and PPAR signaling pathways	Toxicology and applied pharmacology
23810710	20130915	Subchronic exposure to ethyl tertiary butyl ether resulting in genetic damage in Aldh2 knockout mice	Toxicology
22609741	20120915	Craniofacial abnormalities and altered wnt and mmp mRNA expression in zebrafish embryos exposed to gasoline oxygenates ETBE and TAME	Aquatic toxicology (Amsterdam, Netherlands)
22647393	20120715	Oxidative degradation of alternative gasoline oxygenates in aqueous solution by ultrasonic irradiation: mechanistic study	The Science of the total environment

Complexity:	42.6
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	102.104465066
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	102.104465066
Rotatable Bond Count:	2
Topological Polar Surface Area:	9.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4