CAS 67589-39-3 4-Ethoxyphenyl trans-4-Propylcyclohexanecarboxylate

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4-Ethoxyphenyl trans-4-Propylcyclohexanecarboxylate

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Catalog Number

ACM67589393

Product Name

4-Ethoxyphenyl trans-4-Propylcyclohexanecarboxylate

Structure

CAS

67589-39-3

Category

Liquid Crystal (LC) Materials

Synonyms

trans-4-Propylcyclohexanecarboxylic Acid 4-Ethoxyphenyl Ester

IUPAC Name

(4-ethoxyphenyl) 4-propylcyclohexane-1-carboxylate

Molecular Weight

290.40

Molecular Formula

C18H26O3

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

Purity

>98.0%(GC)

Solubility

soluble in Methanol

Appearance

White to Almost white powder to crystal

Storage

Sealed in dry. Room temperature.

Complexity

300

Covalently-Bonded Unit Count

EC Number

266-744-5

Exact Mass

290.188195g/mol

Formal Charge

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

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

Signal Word

Warning

XLogP3

5.4

MSDS

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COA

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Spec Sheet

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