4-Ethoxyphenyl trans-4-Propylcyclohexanecarboxylate

• CAS: 67589-39-3
• Catalog Number: ACM67589393
• Category: Other Products
• Molecular Weight: 290.40
• Molecular Formula: C18H26O3
• Synonyms: trans-4-Propylcyclohexanecarboxylic Acid 4-Ethoxyphenyl Ester
• IUPAC Name: (4-ethoxyphenyl) 4-propylcyclohexane-1-carboxylate
• Canonical SMILES: CCCC1CCC(CC1)C(=O)OC2=CC=C(C=C2)OCC
• InChI: InChI=1S/C18H26O3/c1-3-5-14-6-8-15(9-7-14)18(19)21-17-12-10-16(11-13-17)20-4-2/h10-15H,3-9H2,1-2H3
• InChI Key: DCCOHKNJQHHEHV-UHFFFAOYSA-N
• Boiling Point: 395.8 °C / 760 mmHg
• Melting Point: 57 °C
• Solubility: soluble in Methanol
• Appearance: White to Almost white powder to crystal
• Storage: Sealed in dry. Room temperature.
• Complexity: 300
• Condition To Avoid: Heat Sensitive
• Covalently-Bonded Unit Count: 1
• EC Number: 266-744-5
• Exact Mass: 290.188195g/mol
• Formal Charge: 0
• Hazard Statements: H302 + H312 + H332 : Harmful if swallowed, in contact with skin or if inhaled.H315 : Causes skin irritation.H319 : Causes serious eye irritation.
• H-Bond Acceptor: 3
• H-Bond Donor: 0
• Heavy Atom Count: 21
• MDL Number: MFCD11053417
• Monoisotopic Mass: 290.188195g/mol
• Precautionary Statements: P501 : Dispose of contents/ container to an approved waste disposal plant.P261 : Avoid breathing dust/ fume/ gas/ mist/ vapors/ spray.P270 : Do not eat, drink or smoke when using this product.P271 : Use only outdoors or in a well-ventilated area.P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ protective clothing/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.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.P362 : Take off contaminated clothing and wash before reuse.P301 + P312 + P330 : IF SWALLOWED: Call a POISON CENTER/doctor if you feel unwell. Rinse mouth.P302 + P352 + P312 : IF ON SKIN: Wash with plenty of water.Call a POISON CENTER/doctor if you feel unwell.P304 + P340 + P312 : IF INHALED: Remove person to fresh air and keep comfortable for breathing. Call a POISON CENTER/doctor if you feel unwell.
• Rotatable Bond Count: 7
• Signal Word: Warning
• XLogP3: 5.4