4-Octylphenyl Salicylate

Catalog Number

ACM2512563-1

CAS

2512-56-3

IUPAC Name

(4-octylphenyl) 2-hydroxybenzoate

Synonyms

Salicylic Acid 4-Octylphenyl Ester

Molecular Weight

326.43

Molecular Formula

C21H26O3

Product Information

Canonical SMILES

CCCCCCCCC1=CC=C(C=C1)OC(=O)C2=CC=CC=C2O

Inchi

InChI=1S/C21H26O3/c1-2-3-4-5-6-7-10-17-13-15-18(16-14-17)24-21(23)19-11-8-9-12-20(19)22/h8-9,11-16,22H,2-7,10H2,1H3

InChIKey

VNFXPOAMRORRJJ-UHFFFAOYSA-N

Melting Point

73-76 ºC

Purity

95%+

Appearance

White to Almost white powder to crystal

Complexity

347

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

MFCD00045760

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

2141798

Rotatable Bond Count

Signal Word

Warning

Monoisotopic Mass

326.188195g/mol

Exact Mass

326.188195g/mol