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2-Ethylcyclohexanone 99%

CAT: 0286-E07010-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0286-E07010-01Size:5 g
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CAS Number
4423-94-3
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00066306
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; H335 May cause respiratory irritation.
DOT Name
Not D.O.T.-Regulated
Precautions
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

2-Ethylcyclohexanone
CAS Number4423-94-3
PubChem CID20474
IUPAC Name2-ethylcyclohexan-1-one
Molecular FormulaC8H14O
Molecular Weight126.20
XLogP1.9
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity107
SMILES
CCC1CCCCC1=O
InChI
InChI=1S/C8H14O/c1-2-7-5-3-4-6-8(7)9/h7H,2-6H2,1H3
InChIKey
WKYYYUWKFPFVEY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Ethylcyclohexanone
CAS: 4423-94-3
CID: 20474
Formula: C8H14O
MW: 126.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight126.20
XLogP31.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass126.104465066
Monoisotopic Mass126.104465066
Topological Polar Surface Area17.1 Ų
Heavy Atom Count9
Formal Charge0
Complexity107
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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