CAS 2687-91-4 N-ethyl-2-pyrrolidone (HCID 17595)

Namen und Bezeichner

Bevorzugter Name: N-ethyl-2-pyrrolidone
IUPAC: 1-ethylpyrrolidin-2-one
Lokaler Name: 1-Ethylpyrrolidin-2-on
Englischer Name: 1-Ethyl-2-pyrrolidone
Summenformel: C6H11NO
Molmasse: 113.16

Namen und Synonyme

2687-91-41-ETHYL-2-PYRROLIDINONEN-Ethyl-2-pyrrolidoneEthyl pyrrolidoneDTXSID3044413H0229SX1CWDTXCID1024413RefChem:596395220-250-61-Ethylpyrrolidin-2-one1-Ethyl-2-pyrrolidoneN-Ethylpyrrolidone

Weitere Namen anzeigen

DDR1N-Ethyl-2-pyrrolidone (NEP)DDRCAKNEP crystal

2-Pyrrolidinone, 1-ethyl-Pyrrolidinone, 1-ethyl-N-Ethylpyrrolidinonen-ethyl-2-pyrrolidinoneMFCD00003199NCGC00160611-01CAS-2687-91-4BRN 0107971

Datenbank-Bezeichner

CAS: 2687-91-4
PubChem CID: 17595
DTXSID: DTXSID3044413
ChEMBL: CHEMBL12221
ChEBI: CHEBI:173690
UNII: H0229SX1CW
EC Number: 220-250-6
Nikkaji: J156B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,1
Polarare Oberfläche (TPSA): 20,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 8
Formalladung: 0
Komplexität: 101

Experimentelle und physikochemische Eigenschaften

Vapor Pressure0.1 [mmHg]

Physical Description · 2 Einträge

Liquid; CBI

Clear colorless to light yellow liquid with an amine odor; [ECHA - Proposal for Harmonised Classification and Labelling] Colorless liquid; [Taminco MSDS]

Kovats Retention Index1856

Collision Cross Section121.7 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID3044413]

Physikochemische Eigenschaften

Schmelzpunkt: 87.5 · 87.5-88.5 °C
Siedepunkt: 97 °C/20 · 97 °C/20 mmHg (lit.)
Dichte: 0.992 g/mL · 0.992 g/mL at 25 °C (lit.)
Dampfdruck: 18 Pa · 18Pa at 20℃
Brechungsindex: 20 · n20/D 1.465(lit.)
Flammpunkt: 169 °F · 169 °F
storage temp.: Sealed in dry,Room Temperature
pka: -0.41 · -0.41±0.20(Predicted)
Aggregatzustand: Liquid
Farbe: Clear
PH: 8 · 8-9 (100g/l, H2O, 20℃)
Explosionsgrenze: 1.3 · 1.3-7.7%(V)
Biologische Quelle: rabbit
Wasserlöslichkeit: 1000 g/L · 1000g/L at 23℃
BRN: 107971 · 107971
Specific Activity: 4.25 · 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: -0.2 at · -0.2 at 20℃
Oberflächenspannung: 36.5 mN/m · 36.5mN/m at 293.15K
CAS Datenbank: 2687 · 2687-91-4(CAS DataBase Reference)
NIST chemische Informationen: 1 · 1-Ethyl-2-pyrrolidinone(2687-91-4)
EPA chemische Informationen: 2 · 2-Pyrrolidinone, 1-ethyl- (2687-91-4)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Danger

H360D: 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.

Gefahrenhinweise

Regulatory Information · 6 Einträge

Hazard Traits - Reproductive Toxicity；Authoritative List - EC Annex VI CMRs - Cat. 1B；Report - if used as a fragrance or flavor ingredient

2-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/13618

Restricted substance: 1-ethylpyrrolidin-2-one (NEP)；EC: 220-250-6；Restriction condition document: PDF link

1-ethyl-2-Pyrrolidinone: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary · 1 Eintrag

N-Ethyl-2-pyrrolidone (NEP) is a low volatility aprotic solvent classified as a reproductive toxicant. [ACGIH] An irritant that may cause serious eye injury; Suspected of being toxic the developing child; [ECHA REACH Registrations] Mild developmental toxicity observed in dermal study of rats in the presence of maternal toxicity; Developmental 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 irritant; Animal 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 · 4 Einträge

Acute Tox. 4 (28.7%)；Skin Irrit. 2 (11.9%)；Eye Dam. 1 (62.2%)；Eye Irrit. 2 (23.7%)；STOT SE 3 (11.9%)；Repr. 1B (39.5%)；Repr. 2 (19.3%)

Reproductive toxicity - category 1B

Flammable liquids - Category 4；Reproductive toxicity - Category 1B

Repr. 1B

Sicherheit und Schutzausrüstung

Exposure Control and Personal Protection · 2 Einträge

Biological Exposure Indices (BEI) [ACGIH] - 5-Hydroxy-N-ethyl-2-pyrolidone (5-HNEP) in urine (without hydrolysis) at end of shift = nonquantitative; [TLVs and BEIs)

5.0 [ppm]

Toxikologische Informationen

Adverse Effects · 1 Eintrag

Neurotoxin - Acute solvent syndrome；Occupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.；Reproductive Toxin - A chemical that is toxic to the reproductive system, including defects in the progeny and injury to male or female reproductive function. Reproductive toxicity includes developmental effects. See Guidelines for Reproductive Toxicity Risk Assessment.

Toxicity DataLC50 (rat) > 5,100 mg/m3/8hr

Regulatorische Informationen

Regulatory Information · 6 Einträge

Hazard Traits - Reproductive Toxicity；Authoritative List - EC Annex VI CMRs - Cat. 1B；Report - if used as a fragrance or flavor ingredient

2-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/13618

Restricted substance: 1-ethylpyrrolidin-2-one (NEP)；EC: 220-250-6；Restriction condition document: PDF link

1-ethyl-2-Pyrrolidinone: Does not have an individual approval but may be used under an appropriate group standard

Sicherheitsdaten

wgk: 1
tsca: TSCA listed
ridadr: UN1993
hs_code: 29337900
RTECS-Nr.: UY5769250
risk_code: 22-36-62-41-61
hazard_code: Xn,T
safety_code: 26-36-45-36/37/39-53
hazard_class: 3
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Eye Dam. 1Repr. 1B
Selbstentzündungstemperatur: 245°C (DIN 51794)

Chemie und Industrie

Verwendung und Herstellung

Uses · 2 Einträge

Used as a solvent, catalyst, and cationic surfactant; [ECHA - Proposal for Harmonised Classification and Labelling] Used as a solvent; [EPA - TSCATS] Used to make fine and large scale chemicals, in industrial coatings, cleaning agents, binders and release agents, functional fluids, laboratories, water treatment chemicals, polymer processing, and oil field drilling and production; [ECHA REACH Registrations]

Petroleum Production and Refining [Category: Industry]；Painting (Solvents) [Category: Paint]

U.S. Production2023: 100,000 - <250,000 lb；2022: 100,000 - <250,000 lb；2021: 100,000 - <250,000 lb；2020: 250,000 - <400,000 lb

Consumer UsesEtching agent；Not Known or Reasonably Ascertainable

Industry UsesIntermediate；Not Known or Reasonably Ascertainable；Chemical reaction regulator；Solvent

Household ProductsInformation on 1 consumer products that contain Ethyl Pyrrolidone in the following categories is provided:；• Home Maintenance

General Manufacturing Information · 2 Einträge

Soap, Cleaning Compound, and Toilet Preparation Manufacturing；Textiles, apparel, and leather manufacturing；All Other Basic Organic Chemical Manufacturing；Asphalt Paving, Roofing, and Coating Materials Manufacturing；Plastics Material and Resin Manufacturing；Not Known or Reasonably Ascertainable

2-Pyrrolidinone, 1-ethyl-: ACTIVE