| CAS Number | 6814-19-3 |
| Catalog Number | AG005MJ1(AGN-PC-00MQO8) |
| Chemical Name | 4-Octylcyclohexanone |
| IUPAC Name | 4-octylcyclohexan-1-one |
| InChI | InChI=1S/C14H26O/c1-2-3-4-5-6-7-8-13-9-11-14(15)12-10-13/h13H,2-12H2,1H3 |
| InChI Key | PKOWPSHVZJGPOJ-UHFFFAOYSA-N |
| MDL Number | MFCD26030820 |
| Molecular Formula | C14H26O |
| Molecular Weight | 210.3556 |
| SMILES | CCCCCCCCC1CCC(=O)CC1 |
| Synonyms | 4-Octylcyclohexanone,
4-OCTYLCYCLOHEXAN-1-ONE,
6814-19-3,
Cyclohexanone, 4-octyl-,
SCHEMBL8640867,
CTK1H6248,
DTXSID90541831,
MFCD26030820,
AKOS021583885,
CS-0061495,
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| Complexity | 164 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.198g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.361g/mol |
| Monoisotopic Mass | 210.198g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number