Triethyl Orthopropionate (Technical Grade)

CAT: 0572-TRC-T776890-100GSize: 100 gDry Ice: NoHazardous: Yes

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CAT#:0572-TRC-T776890-100GSize:100 g

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CAS Number

115-80-0

Synonyms

1,1,1-Triethoxypropane; Orthopropionic Acid Triethyl Ester; Ethyl Orthopropionate; NSC 5604; Triethyl Orthopropanoate

Hazard Statement

Flammable liquid and vapour; UN number: UN1993; Packing Group: III

Smiles

CCOC(CC)(OCC)OCC

Molecular Formula

C9H20O3

Molecular Weight

176.25

Shipping Conditions

Room Temperature

Storage Conditions

+4°C

Chemical Information

Ethyl orthopropionate

CAS Number	115-80-0
PubChem CID	66995
IUPAC Name	1,1,1-triethoxypropane
Molecular Formula	C9H20O3
Molecular Weight	176.25
XLogP	2
Topological Polar Surface Area	27.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	7
Heavy Atom Count	12
Formal Charge	0
Complexity	86

SMILES

CCC(OCC)(OCC)OCC

InChI

InChI=1S/C9H20O3/c1-5-9(10-6-2,11-7-3)12-8-4/h5-8H2,1-4H3

InChIKey

FGWYWKIOMUZSQF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 115-80-0

CID: 66995

Formula: C9H20O3

MW: 176.25

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	176.25
XLogP3	2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	7
Exact Mass	176.14124450
Monoisotopic Mass	176.14124450
Topological Polar Surface Area	27.7 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	86.9
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

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Triethyl Orthopropionate (Technical Grade)

Chemical Information

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