4-Ethoxyphenyl trans-4-Propylcyclohexanecarboxylate
Catalog Number
ACM67589393
CAS
67589-39-3
IUPAC Name
(4-ethoxyphenyl) 4-propylcyclohexane-1-carboxylate
Synonyms
trans-4-Propylcyclohexanecarboxylic Acid 4-Ethoxyphenyl Ester
Molecular Weight
290.40
Molecular Formula
C18H26O3
Product Information
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
InChIKey
DCCOHKNJQHHEHV-UHFFFAOYSA-N
Boiling Point
395.8 °C / 760 mmHg
Melting Point
57 °C
Purity
>98.0%(GC)
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
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
21
MDL Number
MFCD11053417
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.
Reaxys Registry Number
6572578
Rotatable Bond Count
7
Signal Word
Warning
Monoisotopic Mass
290.188195g/mol
Exact Mass
290.188195g/mol
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