4-Methyl-1-pentanol

Identifikatoren & physikalische Daten

CAS No.	1320-98-5
Summenformel	C6H14O
Durchschnittliche Molmasse	102,17 g/mol
Monoisotopische Masse	102,10446507 g/mol
SMILES	CC(C)CCCO
InChIKey	PCWGTDULNUVNBN-UHFFFAOYSA-N
PubChem CID	12296
ChEMBL	CHEMBL2260955
ChEBI	CHEBI:63910
EC No.	210-969-3
DTXSID	DTXSID0044313

XLogP	1,6
Polarare Oberfläche (TPSA)	20,2
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	1
Frei drehbare Bindungen	3
Schwere Atome	7
Formalladung	0
Komplexität	33,2
Lipide	Fatty Acyls [FA] -> Fatty alcohols [FA05]
Solvents	Solvents -> Alcohols (<C12)
SpringerMaterials Properties	Boiling point
Aromastoffe	EU Flavoring substances
Dampfdruck	1.7 [mmHg]
Siedepunkt	152 °C
LogP (Verteilungskoeffizient)	1.750 (est)

GHS-Einstufung	DangerH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P262, P264, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P316, P321, P330, P361+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 52 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatorische Informationen	Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)1-Pentanol, 4-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Gefahrenübersicht	Oral LD50 (rat) = 6.5 mL/kgDermal LD50 (rabbit) = 3.97 mL/kg[RTECS] See 2-Methyl-1-pentanol.
Hazard Classes and Categories	Flam. Liq. 3 (100%)
Unerwünschte Wirkungen	Neurotoxin - Acute solvent syndrome