4-n-Octylbenzoic Acid

Catalog Number

ACM3575313

CAS

3575-31-3

IUPAC Name

4-octylbenzoic acid

Synonyms

p-Octylbenzoic acid,Benzoic acid

Molecular Weight

234.33

Molecular Formula

C15H22O2

Product Information

Canonical SMILES

CCCCCCCCC1=CC=C(C=C1)C(=O)O

Inchi

InChI=1S/C15H22O2/c1-2-3-4-5-6-7-8-13-9-11-14(12-10-13)15(16)17/h9-12H,2-8H2,1H3,(H,16,17)

InChIKey

ZQLDNJKHLQOJGE-UHFFFAOYSA-N

Boiling Point

359.9 ºC at 760mmHg

Melting Point

97-98 ºC

Flash Point

172.6ºC

Purity

0.99

Density

1.002 g/ml

Appearance

White to Almost white powder to crystal

Hazard Statements

H315 : Causes skin irritation.H319 : Causes serious eye irritation.

MDL Number

MFCD00042649

Precautionary Statements

P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ 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.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.

Reaxys Registry Number

1954607

Signal Word

Warning

Exact Mass

234.16200