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Product No: CN7996

Triethyl Orthoacetate, >96.0%

Name: Triethyl Orthoacetate
Brand: Chempure
Rating: 4 (1 reviews)

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CAS Number

78-39-7

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About this item

IUPAC name	1,1,1-triethoxyethane
canonical smiles	CCOC(C)(OCC)OCC
inchi	InChI=1S/C8H18O3/c1-5-9-8(4,10-6-2)11-7-3/h5-7H2,1-4H3
inchi key	NDQXKKFRNOPRDW-UHFFFAOYSA-N
molecular formula	C8H18O3
synonyms	Triethyl orthoacetate 1,1,1-Triethoxyethane 78-39-7 Ethane, 1,1,1-triethoxy- Ethyl orthoacetate

Computed Properties

Molecular Weight:	162.23 g/mol
XLogP3:	1.3
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	3
Rotatable Bond Count:	6
Exact Mass:	162.125594432 g/mol
Monoisotopic Mass:	162.125594432 g/mol
Topological Polar Surface Area:	27.7 Å²
Heavy Atom Count:	11
Formal Charge:	0
Complexity:	76.3
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

Triethyl orthoformate

2-Chloro-1,1-diethoxyethane

1,1-Dichloro-2,2-diethoxyethane

Triethyl orthopropionate

1,1,1-Trimethoxyethane

3-Chloro-1,1-diethoxypropane

Diethoxymethyl acetate

Triethyl orthoacetate

Tetraethyl orthocarbonate

3,3-Diethoxybutan-2-one

Tetramethoxymethane

Diisocyanatodimethylsilane

Triisocyanato(methyl)silane

4-Chlorobutyraldehyde diethyl acetal

1,1-Diethoxyacetone

hazard signal	Warning
hazard classes and categories	Flam. Liq. 3 (100%) Skin Irrit. 2 (80.41%) Eye Irrit. 2A (86.6%) STOT SE 3 (11.34%)
precautionary statement codes	P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501
hazard statements	H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] H315 (80.41%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (86.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (11.34%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
hazards summary	A skin and strong eye irritant. See 1,1-Dimethoxyethane.

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About this item

Documentation

Certificate of Analysis

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*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

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About this item

IUPAC name	1,1,1-triethoxyethane
canonical smiles	CCOC(C)(OCC)OCC
inchi	InChI=1S/C8H18O3/c1-5-9-8(4,10-6-2)11-7-3/h5-7H2,1-4H3
inchi key	NDQXKKFRNOPRDW-UHFFFAOYSA-N
molecular formula	C8H18O3
synonyms	Triethyl orthoacetate 1,1,1-Triethoxyethane 78-39-7 Ethane, 1,1,1-triethoxy- Ethyl orthoacetate

Computed Properties

Molecular Weight:	162.23 g/mol
XLogP3:	1.3
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	3
Rotatable Bond Count:	6
Exact Mass:	162.125594432 g/mol
Monoisotopic Mass:	162.125594432 g/mol
Topological Polar Surface Area:	27.7 Å²
Heavy Atom Count:	11
Formal Charge:	0
Complexity:	76.3
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

Triethyl orthoformate

2-Chloro-1,1-diethoxyethane

1,1-Dichloro-2,2-diethoxyethane

Triethyl orthopropionate

1,1,1-Trimethoxyethane

3-Chloro-1,1-diethoxypropane

Diethoxymethyl acetate

Triethyl orthoacetate

Tetraethyl orthocarbonate

3,3-Diethoxybutan-2-one

Tetramethoxymethane

Diisocyanatodimethylsilane

Triisocyanato(methyl)silane

4-Chlorobutyraldehyde diethyl acetal

1,1-Diethoxyacetone

hazard signal	Warning
hazard classes and categories	Flam. Liq. 3 (100%) Skin Irrit. 2 (80.41%) Eye Irrit. 2A (86.6%) STOT SE 3 (11.34%)
precautionary statement codes	P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501
hazard statements	H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] H315 (80.41%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (86.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (11.34%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
hazards summary	A skin and strong eye irritant. See 1,1-Dimethoxyethane.

Product No: CN7996

Triethyl Orthoacetate, >96.0%

Product No: CN7996

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

Require a Sample Certificate of Analysis (COA) ?

Reviews

Product No: CN7996

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?