4-Ethoxyphenyl 4-Butylbenzoate

• CAS: 62716-65-8
• Catalog Number: ACM62716658
• Category: Other Products
• Molecular Weight: 298.38
• Molecular Formula: C19H22O3
• Synonyms: 4-Butylbenzoic Acid 4-Ethoxyphenyl Ester
• IUPAC Name: (4-ethoxyphenyl) 4-butylbenzoate
• Canonical SMILES: CCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)OCC
• InChI: InChI=1S/C19H22O3/c1-3-5-6-15-7-9-16(10-8-15)19(20)22-18-13-11-17(12-14-18)21-4-2/h7-14H,3-6H2,1-2H3
• InChI Key: DDDWTNWRNNRWNQ-UHFFFAOYSA-N
• Boiling Point: 237 °C
• Melting Point: 59-63 ºC
• Appearance: White to Almost white powder to crystal
• Complexity: 313
• Covalently-Bonded Unit Count: 1
• Exact Mass: 298.156895g/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: 22
• MDL Number: MFCD00059426
• Monoisotopic Mass: 298.156895g/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: 8
• Signal Word: Warning
• XLogP3: 5.6