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2-Cyclohexylcyclohexanone 95%

CAT: 0286-C31210-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0286-C31210-01Size:5 g
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CAS Number
90-42-6
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00013795
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-Cyclohexylcyclohexanone

structure

CAS Number90-42-6
PubChem CID7016
IUPAC Name2-cyclohexylcyclohexan-1-one
Molecular FormulaC12H20O
Molecular Weight180.29
XLogP3.7
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity180
SMILES
C1CCC(CC1)C2CCCCC2=O
InChI
InChI=1S/C12H20O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h10-11H,1-9H2
InChIKey
UOBQDYFTAJKQAL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Cyclohexylcyclohexanone
CAS: 90-42-6
CID: 7016
Formula: C12H20O
MW: 180.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight180.29
XLogP33.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass180.151415257
Monoisotopic Mass180.151415257
Topological Polar Surface Area17.1 Ų
Heavy Atom Count13
Formal Charge0
Complexity180
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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