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Methoxyacetone

CAT: 0286-M06550-01Size: 1 gDry Ice: NoHazardous: Yes
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CAT#:0286-M06550-01Size:1 g
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CAS Number
5878-19-3
Synonyms
Methoxy-2-propanone
UN Code
UN1224
Pictogram
02 - Flammable; 07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00008768
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
Ketones, Liquid, 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.

Chemical Information

Methoxyacetone
CAS Number5878-19-3
PubChem CID22172
IUPAC Name1-methoxypropan-2-one
Molecular FormulaC4H8O2
Molecular Weight88.11
XLogP-0.2
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count6
Formal Charge0
Complexity49
SMILES
CC(=O)COC
InChI
InChI=1S/C4H8O2/c1-4(5)3-6-2/h3H2,1-2H3
InChIKey
CUZLJOLBIRPEFB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methoxyacetone
CAS: 5878-19-3
CID: 22172
Formula: C4H8O2
MW: 88.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight88.11
XLogP3-0.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass88.052429494
Monoisotopic Mass88.052429494
Topological Polar Surface Area26.3 Ų
Heavy Atom Count6
Formal Charge0
Complexity49.5
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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