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  • 4-Ethoxyphenyl trans-4-Butylcyclohexanecarboxylate

  • 4-Ethoxyphenyl trans-4-Butylcyclohexanecarboxylate

    Catalog Number
    ACM67589473-1
    CAS Number
    67589-47-3
    Product Name
    4-Ethoxyphenyl trans-4-Butylcyclohexanecarboxylate
    Structure
    Category
    Liquid Crystal (LC) Materials
    Synonyms
    trans-4-Butylcyclohexanecarboxylic Acid 4-Ethoxyphenyl Ester
    IUPAC Name
    (4-ethoxyphenyl) 4-butylcyclohexane-1-carboxylate
    Molecular Weight
    304.43
    Molecular Formula
    C19H28O3
    Canonical SMILES
    CCCCC1CCC(CC1)C(=O)OC2=CC=C(C=C2)OCC
    InChI
    InChI=1S/C19H28O3/c1-3-5-6-15-7-9-16(10-8-15)19(20)22-18-13-11-17(12-14-18)21-4-2/h11-16H,3-10H2,1-2H3
    InChI Key
    JAYBMJPZPJBTQZ-UHFFFAOYSA-N
    Boiling Point
    409.7 °C / 760 mmHg
    Melting Point
    38 °C
    Flash Point
    174 °C
    Purity
    >98.0%(GC)
    Solubility
    soluble in Methanol
    Appearance
    White to Almost white powder to crystal
    Storage
    -20 °C
    Complexity
    313
    Covalently-Bonded Unit Count
    1
    EC Number
    266-745-0
    Exact Mass
    304.203845g/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.
    Heavy Atom Count
    22
    MDL Number
    MFCD01941073
    Monoisotopic Mass
    304.203845g/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
    6
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