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2-Butynyl aldehyde diethyl acetal

CAT: 0286-B31307Size: 5 gDry Ice: NoHazardous: Yes
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CAT#:0286-B31307Size:5 g
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CAS Number
2806-97-5
UN Code
UN1993
Pictogram
02 - Flammable; 07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00009274
Hazard Statement
H226 Flammable liquid and vapor; H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H320 Causes eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation.
DOT Name
Flammable Liquids, 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

2-Butyn-1-al diethyl acetal
CAS Number2806-97-5
PubChem CID137721
IUPAC Name1,1-diethoxybut-2-yne
Molecular FormulaC8H14O2
Molecular Weight142.20
XLogP1.4
Topological Polar Surface Area18.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count10
Formal Charge0
Complexity123
SMILES
CCOC(C#CC)OCC
InChI
InChI=1S/C8H14O2/c1-4-7-8(9-5-2)10-6-3/h8H,5-6H2,1-3H3
InChIKey
FKKVKKSEVMQYER-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Butyn-1-al diethyl acetal
CAS: 2806-97-5
CID: 137721
Formula: C8H14O2
MW: 142.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight142.20
XLogP31.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass142.099379685
Monoisotopic Mass142.099379685
Topological Polar Surface Area18.5 Ų
Heavy Atom Count10
Formal Charge0
Complexity123
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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