Tetraethyl orthocarbonate - CAS 78-09-1

Catalog:	BB036111
Product Name:	Tetraethyl orthocarbonate
CAS:	78-09-1
Synonyms:	triethoxymethoxyethane

Technical Data

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Computed Properties

IUPAC Name:	triethoxymethoxyethane
Description:	Tetraethyl orthocarbonate (CAS# 78-09-1) is an intermediate in the synthesis of Olodaterol (O262000), a novel inhaled β2-adrenoceptor agonist with a 24h bronchodilatory efficacy.
Molecular Weight:	192.25
Molecular Formula:	C9H20O4
Canonical SMILES:	CCOC(OCC)(OCC)OCC
InChI:	InChI=1S/C9H20O4/c1-5-10-9(11-6-2,12-7-3)13-8-4/h5-8H2,1-4H3
InChI Key:	CWLNAJYDRSIKJS-UHFFFAOYSA-N
Boiling Point:	158-160 ℃
Density:	0.915 g/cm³
MDL:	MFCD00009221
LogP:	1.74370

Publication Number	Title	Priority Date
CN-113234078-A	Synthesis method of 7-methyl-1, 5, 7-triazabicyclo [4.4.0] dec-5-ene	20210422
JP-6933315-B1	Active energy ray curable resin composition, coating agent kit, cured product and laminate	20210317
CN-112812124-A	Novel spiro-expansion monomer containing unsaturated bond and ester group and preparation method thereof	20201231
CN-111943937-A	Synthesis method of triphenyl candesartan	20200926
CN-111961285-A	Modified polypropylene kuppe for van	20200826

PMID	Publication Date	Title	Journal
11982342	20020508	One-step synthesis and structure of an oligo(spiro-orthocarbonate)	Journal of the American Chemical Society

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Related Functional Groups

Oxygen Compounds

[134769-80-5]
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[1035840-45-9]
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[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[5333-45-9]
1,2,3,5-Tetramethoxybenzene
[1281984-38-0]
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[5416-55-7]
2,2,6,6-Tetrakis(hydroxymethyl)cyclohexanol

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GHS Hazard Statement:	H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501
Signal Word:	Warning

Complexity:	86.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	192.13615911
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	192.13615911
Rotatable Bond Count:	8
Topological Polar Surface Area:	36.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3