4-Pentyldicyclohexylanone - CAS 84868-02-0
Catalog: |
BB053705 |
Product Name: |
4-Pentyldicyclohexylanone |
CAS: |
84868-02-0 |
Synonyms: |
4-(TRANS-4'-N-PENTYLCYCLOHEXYL)CYCLOHEXANONE; Trans-4-(Trans-4-Pentylcyclohexyl)Cyclohexanone; 4-(Trans-4'-Pentylcyclohexyl)Cyclohexanone; 4-Pentyldicyclohexylanone; trans-4′-Pentyl-1,1′-bicyclohexyl-4-on; trans-4-(4-Pentylcyclohexyl)cyclohexan-1-one; trans-4' |
IUPAC Name: | 4-(4-pentylcyclohexyl)cyclohexan-1-one |
Molecular Weight: | 250.42 |
Molecular Formula: | C17H30O |
Canonical SMILES: | CCCCCC1CCC(CC1)C2CCC(=O)CC2 |
InChI: | InChI=1S/C17H30O/c1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(18)13-11-16/h14-16H,2-13H2,1H3/t14-,15- |
InChI Key: | OZLFNAZSDVXEFU-SHTZXODSSA-N |
Boiling Point: | 341.6±10.0 °C at 760 mmHg |
Purity: | 95% |
Density: | 0.9±0.1 g/cm3 |
Appearance: | Solid |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]; H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]; H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard] |
Precautionary Statement: | P260, P264, P273, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P391, P405, and P501 |
Signal Word: | Danger |
Complexity: | 240 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 250.229665576 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 250.229665576 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 17.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 5.8 |
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Related Functional Groups
Carbonyl Compounds
Cyclohexane
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