2-Methylpropan-1,2-diol

Isobutene Glycol · 2-methylpropane-1 · 1,2-Dihydroxyisobutane · 2-methylpropane-1,2-diol · 1,2-Propanediol,2-Methyl- · 2-Hydroxy-2-methylpropanol · 1,2-Dihydroxy-2-methylpropane · 2-methylpropane-1,2-diol 558-43-0

https://huagongshe.com/de/chemical/68410

Molekülstruktur von 2-Methylpropan-1,2-diol

Identifikatoren & physikalische Daten

CAS No.	558-43-0
Summenformel	C4H10O2
Durchschnittliche Molmasse	90,12 g/mol
Monoisotopische Masse	90,06807956 g/mol
SMILES	CC(C)(O)CO
InChIKey	BTVWZWFKMIUSGS-UHFFFAOYSA-N
PubChem CID	68410
ChEBI	CHEBI:131845
EC No.	209-198-5
DTXSID	DTXSID80204382
Lokaler Name	2-Methylpropan-1,2-diol

Chemische & physikalische Eigenschaften

XLogP	-0,5
Polarare Oberfläche (TPSA)	40,5
H-Brücken-Donoren	2
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	1
Schwere Atome	6
Formalladung	0
Komplexität	40,8
SpringerMaterials Properties	Boiling point
Schmelzpunkt	0.07°C (estimate)
Siedepunkt	176℃
Dichte	1.005
Brechungsindex	1.4340
Flammpunkt	74℃
Lagerbedingungen	Sealed in dry,Room Temperature
Löslichkeit	Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand	Oil
pKa (Säurekonstante)	14.56±0.29(Predicted)
Farbe	Clear Colourless
Henry-Konstante	1.8×102 mol/(m3Pa) at 25℃, Wang et al. (2017)
InChI	InChI=1S/C4H10O2/c1-4(2,6)3-5/h5-6H,3H2,1-2H3
InChIKey	BTVWZWFKMIUSGS-UHFFFAOYSA-N
SMILES	C(O)C(C)(O)C

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (96.3%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 109 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 4 (96.3%)
Zollcode	2905599890

Anwendungen & Verwendung

Verwenden

Isobutene Glycol (cas# 558-43-0) is a compound useful in organic synthesis.