CACOTHELINE

CAS NO.：561-20-6
Empirical Formula: C21H21N3O7
Molecular Weight: 427.41
MDL number: MFCD00077211
EINECS: 209-215-6
SAFETY DATA SHEET (SDS)
Update Date: 2026-05-27 17:05:52

What is CACOTHELINE?

The Uses of CACOTHELINE

Indicator.

What are the applications of Application

Cacotheline Monohydrate is a monohydrate used for proteomics research

Purification Methods

Cacotheline gives yellow crystals from H2O. It is then dried over H2SO4 which gives the dihydrate, and in a vacuum over H2SO4 at 105o it forms the anhydrous compound. The hydrochloride separates as the hydrate (on heating in vacuum at 80o) in orange-yellow prisms or plates, m 250o(dec) and forms a resorcinol complex which gives brown crystals from EtOH, m 325o, and a hydroquinone complex as dark red crystals from EtOH, m 319o. [Leuchs & Leuchs Chem Ber 43 1042 1910, Teuber Chem Ber 86 232, (UV: 242) 1953; complexes: Gallo Gazz Chim Ital 85 1441 1955.] It is used in the titrimetric estimation of Sn2+ ions [Szrvas & Lantos Talanta 10 477 1963]. [Beilstein 27 III/IV 8014.]

Properties of CACOTHELINE

Melting point:	>299.85°C
Boiling point:	542.58°C (rough estimate)
Density	1.4011 (rough estimate)
refractive index	1.6300 (estimate)
pka	4.18±0.10(Predicted)
form	Solid
color	White to yellow crystal
Merck	14,1605
CAS DataBase Reference	561-20-6(CAS DataBase Reference)
EPA Substance Registry System	Cacotheline (561-20-6)

Safety information for CACOTHELINE

Signal word	Danger
Pictogram(s)	Skull and Crossbones Acute Toxicity GHS06
Precautionary Statement Codes	P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. P405:Store locked up. P403+P233:Store in a well-ventilated place. Keep container tightly closed. P501:Dispose of contents/container to..…