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1-Butenyl ethyl ether, mixture of cis and trans

1-Butenyl ethyl ether, mixture of cis and trans - CAS 929-05-5

Catalog:	BB040712
Product Name:	1-Butenyl ethyl ether, mixture of cis and trans
CAS:	929-05-5
Synonyms:	(E)-1-ethoxybut-1-ene

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Computed Properties

IUPAC Name:	(E)-1-ethoxybut-1-ene
Description:	1-Butenyl ethyl ether, mixture of cis and trans (CAS# 929-05-5 ) is a useful research chemical.
Molecular Weight:	100.16
Molecular Formula:	C6H12O
Canonical SMILES:	CCC=COCC
InChI:	InChI=1S/C6H12O/c1-3-5-6-7-4-2/h5-6H,3-4H2,1-2H3/b6-5+
InChI Key:	AQTYNINXYJFSHD-AATRIKPKSA-N
Boiling Point:	94-95 °C (lit.)
Density:	0.778 g/mL at 25 °C(lit.)
Appearance:	Colorless to yellow-green liquid
MDL:	MFCD03427069
LogP:	1.94660

Publication Number	Title	Priority Date
US-2021174983-A1	Compositions for the filling of high aspect ratio vertical interconnect access (via) holes	20191204
WO-2021112933-A1	Compositions for the filling of high aspect ratio vertical interconnect access (via) holes	20191204
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WO-2020255966-A1	Refrigeration cycle device	20190619
WO-2020256119-A1	Refrigerant-containing composition, use thereof, refrigerator having same, operation method for said refrigerator, and refrigeration cycle device equipped with said refrigerator	20190619

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GHS Hazard Statement:	H225 (100%): Highly 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

Complexity:	48.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	100.088815002
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	100.088815002
Rotatable Bond Count:	3
Topological Polar Surface Area:	9.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9