2-Methoxypropionsure

2-methoxypropanoic acid · Propanoic acid, 2-methoxy- · 2021.11.2 · UNII:288B9CW12D · Einecs 224-356-3 · 2-Methoxypropionsure · 2-methoxypropionic acid · alpha-Methoxypropionic acid

https://huagongshe.com/de/chemical/92209

Molekülstruktur von 2-Methoxypropionsure

Identifikatoren & physikalische Daten

CAS No.	4324-37-2
Summenformel	C4H8O3
Durchschnittliche Molmasse	104,1 g/mol
Monoisotopische Masse	104,04734412 g/mol
SMILES	COC(C)C(=O)O
InChIKey	ICPWFHKNYYRBSZ-UHFFFAOYSA-N
PubChem CID	92209
EC No.	224-356-3
DTXSID	DTXSID6044018
Lokaler Name	2-Methoxypropionsure

Chemische & physikalische Eigenschaften

XLogP	0,1
Polarare Oberfläche (TPSA)	46,5
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	2
Schwere Atome	7
Formalladung	0
Komplexität	69,3
Schmelzpunkt	128.5 °C
Siedepunkt	199℃
Dichte	1.085
Flammpunkt	87℃
Lagerbedingungen	2-8°C
Löslichkeit	Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand	Oil
pKa (Säurekonstante)	3.59±0.10(Predicted)
Farbe	Colorless
InChI	InChI=1S/C4H8O3/c1-3(7-2)4(5)6/h3H,1-2H3,(H,5,6)
InChIKey	ICPWFHKNYYRBSZ-UHFFFAOYSA-N
SMILES	C(O)(=O)C(OC)C

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (90.6%): 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 32 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 4 (90.6%)
Gefahrenklasse	IRRITANT