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Methyl propiolate 98%

CAT: 0286-M26780-01Size: 5 gDry Ice: NoHazardous: Yes
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CAT#:0286-M26780-01Size:5 g
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CAS Number
922-67-8
Synonyms
Methyl acetylenecarboxylate
UN Code
UN3271
Pictogram
02 - Flammable; 07 - Irritant
UDF Signal Word
Danger
MDL Number
MFCD00008572
Hazard Statement
H225 Highly 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.
Other Statements
EUH018 In use may form flammable/explosive vapour-air mixture
DOT Name
Ethers, N.O.S.
DOT Classification
Class 3
Packaging Group
PGII
Precautions
P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking; P240 Ground/bond container and receiving equipment; P241 Use explosion-proof electrical/ventilating/lighting/[ ]/equipment; 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

Methyl propiolate
CAS Number922-67-8
PubChem CID13536
IUPAC Namemethyl prop-2-ynoate
Molecular FormulaC4H4O2
Molecular Weight84.07
XLogP0.6
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count6
Formal Charge0
Complexity95
SMILES
COC(=O)C#C
InChI
InChI=1S/C4H4O2/c1-3-4(5)6-2/h1H,2H3
InChIKey
IMAKHNTVDGLIRY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl propiolate
CAS: 922-67-8
CID: 13536
Formula: C4H4O2
MW: 84.07
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight84.07
XLogP30.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass84.021129366
Monoisotopic Mass84.021129366
Topological Polar Surface Area26.3 Ų
Heavy Atom Count6
Formal Charge0
Complexity95.4
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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