4-Ethoxyphenyl 4-Butylbenzoate

Catalog Number

ACM62716658

Product Name

4-Ethoxyphenyl 4-Butylbenzoate

Structure

CAS

62716-65-8

Category

Heterocyclic Organic Compound

Synonyms

4-Butylbenzoic Acid 4-Ethoxyphenyl Ester

IUPAC Name

(4-ethoxyphenyl) 4-butylbenzoate

Molecular Weight

298.38

Molecular Formula

C19H22O3

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

MSDS

COA

Spec Sheet