Henicosanol

1-HENEICOSANOL · henicosan-1-ol · Hecosanol · henicosanol · Heneicosanol · n-henicosanol · 1-Henicosanol · N-HENEICOSANOL

Identifikatoren & physikalische Daten

CAS No.	15594-90-8
Summenformel	C21H44O
Durchschnittliche Molmasse	312,6 g/mol
Monoisotopische Masse	312,33921602 g/mol
SMILES	CCCCCCCCCCCCCCCCCCCCCO
InChIKey	FIPPFBHCBUDBRR-UHFFFAOYSA-N
PubChem CID	85014
ChEBI	CHEBI:78410
EC No.	239-673-2
DTXSID	DTXSID70935330
Lokaler Name	Henicosanol

XLogP	10
Polarare Oberfläche (TPSA)	20,2
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	1
Frei drehbare Bindungen	19
Schwere Atome	22
Formalladung	0
Komplexität	179
Endocrine Disruptors	Potential endocrine disrupting compound
Schmelzpunkt	68-71 °C
Siedepunkt	170 °C (0.1 mmHg)
Dichte	0.8606 (rough estimate)
Brechungsindex	1.4405 (estimate)
Lagerbedingungen	Keep in dark place,Inert atmosphere,2-8°C
Löslichkeit	almost transparency in hot Methanol
Aggregatzustand	Liquid
pKa (Säurekonstante)	15.20±0.10(Predicted)
Farbe	White
InChI	1S/C21H44O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22/h22H,2-21H2,1H3
InChIKey	FIPPFBHCBUDBRR-UHFFFAOYSA-N
SMILES	CCCCCCCCCCCCCCCCCCCCCO
CAS Datenbank	15594-90-8(CAS DataBase Reference)

GHS-Einstufung	This chemical does not meet GHS hazard criteria for 100% (3 of 3) of all reports.Not ClassifiedAggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard Classes and Categories	Not Classified
Wassergefährdungsklasse (WGK)	3
Zollcode	2905.19.9090
Sicherheitshinweise (S)	24/25
Lagerklasse	11 - Combustible Solids