CAS 50802-52-3 4-Hexyloxyphenyl 4-Pentylbenzoate

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4-Hexyloxyphenyl 4-Pentylbenzoate

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Catalog Number

ACM50802523-1

CAS Number

50802-52-3

Product Name

4-Hexyloxyphenyl 4-Pentylbenzoate

Structure

Category

Liquid Crystal (LC) Building Blocks; Liquid Crystal (LC) Materials

Synonyms

4-Amylbenzoic Acid 4-Hexyloxyphenyl Ester
4-Pentylbenzoic Acid 4-Hexyloxyphenyl Ester

IUPAC Name

(4-hexoxyphenyl) 4-pentylbenzoate

Molecular Weight

368.52

Molecular Formula

C24H32O3

Canonical SMILES

CCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)CCCCC

InChI

InChI=1S/C24H32O3/c1-3-5-7-9-19-26-22-15-17-23(18-16-22)27-24(25)21-13-11-20(12-14-21)10-8-6-4-2/h11-18H,3-10,19H2,1-2H3

InChI Key

QOSDDNTYRMLJLY-UHFFFAOYSA-N

Melting Point

57 °C

Purity

>99.0%(GC)

Solubility

soluble in Methanol

Appearance

White to Almost white powder to crystal

Storage

Room temperature.

Complexity

379

Covalently-Bonded Unit Count

Exact Mass

368.235145g/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

MFCD00059437

Monoisotopic Mass

368.235145g/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

8.1

MSDS

Download MSDS

COA

Download COA

Spec Sheet

Download Spec Sheet

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