2-Methylpentan-2-ol

2-Methylpentan-2-ol · 2-methyl-2-pentano · Methyl-2 pentanol-2 · 1,1-Dimethylbutanol · 2-Methyl-2-pentanol · 2-methyl-pentan-2-ol · 2-Pentanol,2-methyl- · 2-Pentanol, 2-methyl-

https://huagongshe.com/de/chemical/11543

Identifikatoren & physikalische Daten

CAS No.	590-36-3
Summenformel	C6H14O
Durchschnittliche Molmasse	102,17 g/mol
Monoisotopische Masse	102,10446507 g/mol
SMILES	CCCC(C)(C)O
InChIKey	WFRBDWRZVBPBDO-UHFFFAOYSA-N
PubChem CID	11543
ChEMBL	CHEMBL450417
EC No.	209-681-0
DTXSID	DTXSID4060440
Lokaler Name	2-Methylpentan-2-ol

Chemische & physikalische Eigenschaften

XLogP	1,4
Polarare Oberfläche (TPSA)	20,2
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	1
Frei drehbare Bindungen	2
Schwere Atome	7
Formalladung	0
Komplexität	48,1
Solvents	Solvents -> Alcohols (<C12)
SpringerMaterials Properties	Boiling point
Aromastoffe	EU Flavoring substances
Dampfdruck	8.6 [mmHg]
Physical Description	2-methylpentan-2-ol appears as a colorless liquid. Less dense than water. Vapors heavier than air. Used to make other chemicals.[CAMEO]
Schmelzpunkt	-107 °C
Siedepunkt	120-122 °C(lit.)
Dichte	0.835 g/mL at 25 °C(lit.)
Brechungsindex	n20/D 1.411(lit.)
Flammpunkt	70 °F
Lagerbedingungen	Flammables area
Löslichkeit	32.4g/lSoluble in water at 20°C 32g/L. Soluble in alcohol.
pKa (Säurekonstante)	15.38±0.29(Predicted)
Aggregatzustand	clear liquid
Farbe	Colorless to Almost colorless
Geruch	at 1.00%indipropylene glycol. pungent
Explosionsgrenze	1.1-7%(V)
BRN	1718951
Henry-Konstante	2.8×10-1 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
InChI	1S/C6H14O/c1-4-5-6(2,3)7/h7H,4-5H2,1-3H3
InChIKey	WFRBDWRZVBPBDO-UHFFFAOYSA-N
SMILES	CCCC(C)(C)O
LogP (Verteilungskoeffizient)	1.603 (est)
CAS Datenbank	590-36-3(CAS DataBase Reference)
EPA chemische Informationen	2-Methyl-2-pentanol (590-36-3)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 46 reports by companies from 6 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Regulatorische Informationen	Commission Regulation (EC) No 1565/2000 (Repealed by Com.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)2-Pentanol, 2-methyl-: HSNO Approval: HSR001259 Approved with controls
DOT-Kennzeichnung	Flammable Liquid
Brandgefahren	Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.
Gesundheitsgefahren	Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:· May cause toxic effects if inhaled or absorbed through skin.
Gefahrenübersicht	Highly flammable[CAMEO] A skin and strong eye irritant[Sigma-Aldrich MSDS] See 2-Methyl-1-pentanol.
DOT-Nummer und Handbuch	2560 129
Reaktive Gruppe	Alcohols and Polyols
Reactivity Alerts	Highly Flammable
Reactivity Profile	2-METHYLPENTAN-2-OL is an alcohol. Flammable and/or toxic gases are generated by the combination of alcohols with alkali metals, nitrides, and strong reducing agents. They react with oxoacids and carboxylic acids to form esters plus water. Oxidizing agents convert them to aldehydes or ketones. Alcohols exhibit both weak acid and weak base behavior. They may initiate the polymerization of isocyanates and epoxides.
DOT Hazard Classification	2-Methylpentan-2-ol

Anwendungen & Verwendung

Verwenden

It is used to study its antagonist activity. It reacts with a second target site to alter the spatial relation between the hydrophobic agonist binding site and the allosteric site. It may initiate the polymerization of isocyanates and epoxides.