Triethyl orthopropionate 97%

CAT: 0286-T22405-01Size: 100 gDry Ice: NoHazardous: Yes

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CAT#:0286-T22405-01Size:100 g

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CAS Number

115-80-0

UN Code

UN3272

Pictogram

02 - Flammable; 07 - Irritant

UDF Signal Word

Warning

MDL Number

MFCD00009226

Hazard Statement

H226 Flammable liquid and vapor; H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation.

DOT Name

Esters, N.O.S.

DOT Classification

Class 3

Packaging Group

PGIII

Precautions

P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking; P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention; P403+P235 Store in a well-ventilated place. Keep cool; P405 Store locked up.

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 97%

Chemical Information

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