2-Methyloctan-1-ol

1-Octanol, 2-methyl- · 2-Methylontan-1-ol · 2-methyloctan-1-ol · 2-METHYL-1-OCTANOL

Identifikatoren & physikalische Daten

CAS No.	818-81-5
Summenformel	C9H20O
Durchschnittliche Molmasse	144,25 g/mol
Monoisotopische Masse	144,15141526 g/mol
SMILES	CCCCCCC(C)CO
InChIKey	IGVGCQGTEINVOH-UHFFFAOYSA-N
PubChem CID	102495
EC No.	212-457-5
DTXSID	DTXSID20862425
Lokaler Name	2-Methyloctan-1-ol

XLogP	3,4
Polarare Oberfläche (TPSA)	20,2
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	1
Frei drehbare Bindungen	6
Schwere Atome	10
Formalladung	0
Komplexität	61,7
Solvents	Solvents -> Alcohols (<C12)
Aromastoffe	EU Flavoring substances
Schmelzpunkt	6.15°C (estimate)
Siedepunkt	192.9°C (estimate)
Dichte	0.8446 (estimate)
Brechungsindex	1.4073 (estimate)
Lagerbedingungen	Sealed in dry,Room Temperature
Löslichkeit	Chloroform (Sparingly), DMSO (Slightly)
Aggregatzustand	Oil
pKa (Säurekonstante)	15.09±0.10(Predicted)
Farbe	Colourless
Henry-Konstante	4.8×10-2 mol/(m3Pa) at 25℃, Yaws (2003)
LogP (Verteilungskoeffizient)	3.230 (est)

GHS-Einstufung	WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Regulatorische Informationen	Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Hazard Classes and Categories	Skin Irrit. 2 (100%)
Unerwünschte Wirkungen	Neurotoxin - Acute solvent syndrome
Alarmwort	Warnung
Gefahrenhinweise	Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H315