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2-Pentynyl aldehyde diethyl acetal

CAT: 0286-P04919Size: 10 gDry Ice: NoHazardous: No
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CAT#:0286-P04919Size:10 g
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CAS Number
18229-77-1
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00041628
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled.
Precautions
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

1,1-Diethoxypent-2-yne
CAS Number18229-77-1
PubChem CID7010453
IUPAC Name1,1-diethoxypent-2-yne
Molecular FormulaC9H16O2
Molecular Weight156.22
XLogP1.9
Topological Polar Surface Area18.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count11
Formal Charge0
Complexity134
SMILES
CCC#CC(OCC)OCC
InChI
InChI=1S/C9H16O2/c1-4-7-8-9(10-5-2)11-6-3/h9H,4-6H2,1-3H3
InChIKey
ZBTHMAVIHNEVLH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,1-Diethoxypent-2-yne
CAS: 18229-77-1
CID: 7010453
Formula: C9H16O2
MW: 156.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight156.22
XLogP31.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass156.115029749
Monoisotopic Mass156.115029749
Topological Polar Surface Area18.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity134
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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