1-Ethylpyrrolidin-2-on

1-ETHYL-2-PYRROLIDINONE · N-ETHYL-2-PYRROLIDONE · N-Ethylpyrrolidone · DDR1 · N-Ethylpyrrolidinone · 1-ETHYL-2-PYRROLIDONE · N-Ethyl-2-pyrrolidone (NEP) · DDR

https://huagongshe.com/de/chemical/17595

Molekülstruktur von 1-Ethylpyrrolidin-2-on

Identifikatoren & physikalische Daten

CAS No.	2687-91-4
Summenformel	C6H11NO
Durchschnittliche Molmasse	113,16 g/mol
Monoisotopische Masse	113,08406397 g/mol
SMILES	CCN1CCCC1=O
InChIKey	ZFPGARUNNKGOBB-UHFFFAOYSA-N
PubChem CID	17595
ChEMBL	CHEMBL12221
ChEBI	CHEBI:173690
EC No.	220-250-6
DTXSID	DTXSID3044413
Lokaler Name	1-Ethylpyrrolidin-2-on

Chemische & physikalische Eigenschaften

XLogP	-0,1
Polarare Oberfläche (TPSA)	20,3
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	1
Frei drehbare Bindungen	1
Schwere Atome	8
Formalladung	0
Komplexität	101
Dampfdruck	0.1 [mmHg]18Pa at 20℃
Physical Description	LiquidCBIClear colorless to light yellow liquid with an amine odor[ECHA - Proposal for Harmonised Classification and Labelling] Colorless liquid[Taminco MSDS]
Kovats Retention Index	1856
Collision Cross Section	121.7 Å² [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: APCI+Dataset: TOXCASTSource Identifier: DTXSID3044413]
Schmelzpunkt	87.5-88.5 °C
Siedepunkt	97 °C/20 mmHg (lit.)
Dichte	0.992 g/mL at 25 °C (lit.)
Brechungsindex	n20/D 1.465(lit.)
Flammpunkt	169 °F
Lagerbedingungen	Sealed in dry,Room Temperature
pKa (Säurekonstante)	-0.41±0.20(Predicted)
Aggregatzustand	Liquid
Farbe	Clear
pH	8-9 (100g/l, H2O, 20℃)
Explosionsgrenze	1.3-7.7%(V)
Biologische Quelle	rabbit
Löslichkeit	1000g/L at 23℃
BRN	107971
Specific Activity	4.25-5.75nmol/min·mg
Kosmetik-Inhaltsstoffe Funktionen	SOLVENT
InChI	1S/C6H11NO/c1-2-7-5-3-4-6(7)8/h2-5H2,1H3
InChIKey	ZFPGARUNNKGOBB-UHFFFAOYSA-N
SMILES	CCN1CCCC1=O
LogP (Verteilungskoeffizient)	-0.2 at 20℃
Oberflächenspannung	36.5mN/m at 293.15K
CAS Datenbank	2687-91-4(CAS DataBase Reference)
NIST chemische Informationen	1-Ethyl-2-pyrrolidinone(2687-91-4)
EPA chemische Informationen	2-Pyrrolidinone, 1-ethyl- (2687-91-4)

Sicherheit & Vorschriften

GHS-Einstufung	DangerH360D: May damage the unborn child [Danger Reproductive toxicity]P203, P280, P318, P405, and P501 (click each P-code to see the statement)This chemical does not meet GHS hazard criteria for 5.9% (90 of 1525) of reports.
Regulatorische Informationen	Hazard Traits - Reproductive ToxicityAuthoritative List - EC Annex VI CMRs - Cat. 1BReport - if used as a fragrance or flavor ingredient2-Pyrrolidinone, 1-ethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Pyrrolidinone, 1-ethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)SP - indicates a substance that is identified in a proposed Significant New Use Rule.Status: Active Update: 16-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/13618Restricted substance: 1-ethylpyrrolidin-2-one (NEP)EC: 220-250-6Restriction condition document: PDF link1-ethyl-2-Pyrrolidinone: Does not have an individual approval but may be used under an appropriate group standard
Gefahrenübersicht	N-Ethyl-2-pyrrolidone (NEP) is a low volatility aprotic solvent classified as a reproductive toxicant. [ACGIH] An irritant that may cause serious eye injurySuspected of being toxic the developing child[ECHA REACH Registrations] Mild developmental toxicity observed in dermal study of rats in the presence of maternal toxicityDevelopmental toxicity (in 1 of the 2 studies) and teratogenicity (both studies) observed in rabbits at oral doses producing marked maternal toxicity[EPA - TSCATS] A skin and moderate eye irritantAnimal studies have demonstrated corrosive injuries to eyes, no skin irritation, no sensitization, the liver and kidney as target organs of toxicity, no mutagenic or carcinogenic effects, and reproductive toxicity[Taminco MSDS] See N-Methyl-2-pyrrolidone.
Hazard Classes and Categories	Acute Tox. 4 (28.7%)Skin Irrit. 2 (11.9%)Eye Dam. 1 (62.2%)

Anwendungen & Verwendung

Verwenden

1-Ethyl-2-pyrrolidone was used to modify coir fiber (from Cocos nucifera) by photocuring.