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Ethyl diethoxyacetate

CAT: 0286-E07480-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0286-E07480-01Size:25 g
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CAS Number
6065-82-3
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00009231
Hazard Statement
H227 Combustible liquid; 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
Not D.O.T.-Regulated
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.

Chemical Information

Ethyl diethoxyacetate
CAS Number6065-82-3
PubChem CID80169
IUPAC Nameethyl 2,2-diethoxyacetate
Molecular FormulaC8H16O4
Molecular Weight176.21
XLogP1.1
Topological Polar Surface Area44.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count12
Formal Charge0
Complexity118
SMILES
CCOC(C(=O)OCC)OCC
InChI
InChI=1S/C8H16O4/c1-4-10-7(9)8(11-5-2)12-6-3/h8H,4-6H2,1-3H3
InChIKey
XCLBIKIQSCTANZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl diethoxyacetate
CAS: 6065-82-3
CID: 80169
Formula: C8H16O4
MW: 176.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight176.21
XLogP31.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass176.10485899
Monoisotopic Mass176.10485899
Topological Polar Surface Area44.8 Ų
Heavy Atom Count12
Formal Charge0
Complexity118
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
TYD-00404-01Ethyl diethoxyacetate
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