Grundinformationen
- Standard-SMILES
O=C1CCCN1C1CCCCC1- InChIKey
PZYDAVFRVJXFHS-UHFFFAOYSA-N- Summenformel
- C10H17NO
- Durchschnittliche Molmasse
- 167,25 g/mol
- Monoisotopische Masse
- 167,13101417
Namen und Bezeichner
- Bevorzugter Name
- N-Cyclohexyl-2-pyrrolidone
- IUPAC
- 1-cyclohexylpyrrolidin-2-one
- Lokaler Name
- N-Cyclohexyl-2-pyrrolidon
- Englischer Name
- N-Cyclohexyl-2-pyrrolidone
- Summenformel
- C10H17NO
- Molmasse
- 167.25
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
6837-24-7- PubChem CID
- 81278
- DTXSID
DTXSID7044716- ChEMBL
CHEMBL3183929- UNII
- 7IM8P1VVNM
- EC Number
- 229-919-7
- Nikkaji
- J150.014G
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,6
- Polarare Oberfläche (TPSA)
- 20,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 173
Experimentelle und physikochemische Eigenschaften
Physical Description
Liquid
Pale yellow liquid; [Alfa Aesar MSDS]
Collision Cross Section
157.7 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID7044716];140.3 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID7044716];139.2 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID7044716]
Physikochemische Eigenschaften
- Schmelzpunkt
- 12 °C · 12 °C
- Siedepunkt
- 154 °C7 · 154 °C7 mm Hg(lit.)
- Dichte
- 1.007 g/mL · 1.007 g/mL at 25 °C(lit.)
- Dampfdruck
- 0.05 mm · 0.05 mm Hg ( 25 °C)
- Brechungsindex
- 20 · n20/D 1.499(lit.)
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- Sealed in dry,Room Temperature
- Aggregatzustand
- clear liquid
- pka
- -0.49 · -0.49±0.20(Predicted)
- Farbe
- Colorless to Orange to Green
- Wasserlöslichkeit
- Soluble
- BRN
- 121832 · 121832
- InChI
- InChI=1S/C10H17NO/c12-10-7-4-8-11(10)9-5-2-1-3-6-9/h9H,1-8H2
- InChIKey
- PZYDAVFRVJXFHS-UHFFFAOYSA-N
- SMILES
- N1(C2CCCCC2)CCCC1=O
- CAS Datenbank
- 6837 · 6837-24-7(CAS DataBase Reference)
- EPA chemische Informationen
- 2 · 2-Pyrrolidinone, 1-cyclohexyl- (6837-24-7)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H302+H312 (25.5%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oral; acute toxicity, dermal];H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal];H314 (98.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H318 (71.2%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 153 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Regulatory Information
2-Pyrrolidinone, 1-cyclohexyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Pyrrolidinone, 1-cyclohexyl- 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)
Status: Active Update: 09-01-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/21831
2-Pyrrolidinone, 1-cyclohexyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
No adverse fetal effects observed in rats or rabbits by oral administration during organogenesis; [Shepard's Catalog of Teratogenic Agents] A severe skin and eye irritant; Causes other changes of the liver, kidney, ureter, and bladder in oral lethal-dose studies of rats; [RTECS] An irritant that may cause serious eye injury; Highly toxic by inhalation; Harmful by ingestion and skin absorption; [Alfa Aesar MSDS] See N-Ethyl-2-pyrrolidone and N-Methyl-2-pyrrolidone.
Toxikologische Informationen
Regulatorische Informationen
Regulatory Information
2-Pyrrolidinone, 1-cyclohexyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Pyrrolidinone, 1-cyclohexyl- 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)
Status: Active Update: 09-01-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/21831
2-Pyrrolidinone, 1-cyclohexyl-: Does not have an individual approval but may be used under an appropriate group standard
Sicherheitsdaten
- wgk
- 1
- tsca
- TSCA listed
- ridadr
- UN 2810 6.1/PG 2
- hs_code
- 29337900
- RTECS-Nr.
- UY5748450
- risk_code
- 22-36/37/38-26-21/22-34
- hazard_code
- Xn,T+,C
- safety_code
- 23-24/25-45-38-36/37/39-28A-26
- hazard_class
- 8
- packing_group
- III
- Speicherklasse
- 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 OralEye Dam. 1Skin Corr. 1B
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information
Synthetic Dye and Pigment Manufacturing
2-Pyrrolidinone, 1-cyclohexyl-: ACTIVE
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