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Trans-4'-Pentyl-(1,1'-bicyclohexyl)-4-carboxylic acid CAS#:65355-33-1
IdentificationPhysical DataSpectraRoute of Synthesis (ROS)Safety and HazardsOther Data

Identification

Product NameTrans-4'-Pentyl-(1,1'-bicyclohexyl)-4-carboxylic acidIUPAC Name4-(4-pentylcyclohexyl)cyclohexane-1-carboxylic acid  Molecular StructureCAS Registry Number 65355-33-1MDL NumberMFCD22379991Synonymstrans-4'-Pentyl-(1,1'-bicyclohexyl)-4-carboxylic acid4-(4-pentylcyclohexyl)cyclohexane-1-carboxylic acidtrans-4-Pentyl-(1,1-bicyclohexyl)-4-carboxylic acid4'-pentyl-1,1'-bi(cyclohexyl)-4-carboxylic acidtrans,trans-4'-Pentylbicyclohexyl-4-carboxylic Acidtrans-4-(trans-4-pentylcyclohexyl)cyclohexanecarboxylic acid(TRANS,TRANS)-4'-PENTYL--4-CARBOXYLIC ACID5309-12-64'-Pentyl-bicyclohexyl-4-carboxylic acidtrans-4-(trans-4-AmylcycloheSCHEMBL1961977SCHEMBL1961978SCHEMBL4159828SCHEMBL4159836SCHEMBL9340270SCHEMBL12918855DTXSID00967609Molecular FormulaC18H32O2Molecular Weight280.451InChIInChI=1S/C18H32O2/c1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18(19)20/h14-17H,2-13H2,1H3,(H,19,20)InChI KeyVRPANQODGRNWRV-UHFFFAOYSA-NCanonical SMILESCCCCCC1CCC(CC1)C2CCC(CC2)C(=O)O

Physical Data

AppearanceWhite solid

Melting Point, °C Solvent (Melting Point) 220

Boiling Point, °C245

Route of Synthesis (ROS)

Route of Trans-4'-Pentyl-(1,1'-bicyclohexyl)-4-carboxylic acid CAS 65355-33-1

ConditionsYieldWith thionyl chloride at 70℃; for 1h;With thionyl chlorideWith thionyl chloride In benzene

Safety and Hazards

Pictogram(s)SignalDangerGHS Hazard StatementsH315 (66.67%): Causes skin irritation H319 (66.67%): Causes serious eye irritation H335 (33.33%): May cause respiratory irritation H410 (33.33%): Very toxic to aquatic life with long lasting effects Precautionary Statement CodesP261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501(The corresponding statement to each P-code can be found at the GHS Classification page.)

Other Data

Transportationdangerous goodsHS CodeNo data availableStorageStore at room temperature, sealed and away from light.Shelf Life1 yearMarket Price

DruglikenessLipinski rules componentMolecular Weight280.451logP7.569HBA2HBD1Matching Lipinski Rules3Veber rules componentPolar Surface Area (PSA)37.3Rotatable Bond (RotB)6Matching Veber Rules2

Use PatternTrans-4'-Pentyl-(1,1'-bicyclohexyl)-4-carboxylic acid used in the synthesis of fine chemicals such as medicine and pesticides.
https://www.chemwhat.com/trans-4-pentyl-11-bicyclohexyl-4-carboxylic-acid-cas65355-33-1/

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