N-Ethyl-2-pyrrolidone
- Iupac Name:1-ethylpyrrolidin-2-one
- CAS No.: 2687-91-4
- Molecular Weight:113.16
- Modify Date.: 2022-11-29 09:49
- Introduction:
clear liquid
Liquid
1-Ethyl-2-pyrrolidinone is a N-alkylpyrrolidine.
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1. Names and Identifiers
- 1.1 Name
- N-Ethyl-2-pyrrolidone
- 1.2 Synonyms
1-ethyl-2-pyrrolidinon 1-Ethyl-2-pyrrolidinone 1-Ethyl-2-pyrrolidone 1-ethyl-pyrrolidin-2-one 1-ethylpyrrolidin-2-one 2-Pyrrolidinone, 1-ethyl- Agsol Ex 2 EINECS 220-250-6 ethyl-2-pyrrolidone ethyl-pyrrolidinone MFCD00003199 N-Efhyl-2-Pyrrolidone NEP N-Ethyl-2-azapentanone N-Ethyl-2-pyrrolidinone N-Ethyl-2-pyrrolidon N-Ethyl-a-pyrrolidone N-Ethylpyrrolidinone N-Ethylpyrrolidone N-Ethyl-Pyrrolidone
- 1.3 CAS No.
- 2687-91-4
- 1.4 CID
- 17595
- 1.5 EINECS(EC#)
- 220-250-6
- 1.6 Molecular Formula
- C6H11NO (isomer)
- 1.7 Inchi
- InChI=1S/C6H11NO/c1-2-7-5-3-4-6(7)8/h2-5H2,1H3
- 1.8 InChkey
- ZFPGARUNNKGOBB-UHFFFAOYSA-N
- 1.9 Canonical Smiles
- CCN1CCCC1=O
- 1.10 Isomers Smiles
- CCN1CCCC1=O
2. Properties
- 2.1 Density
- 0.992
- 2.1 Melting point
- 87.5-88.5 °C
- 2.1 Boiling point
- 97℃ (20 mmHg)
- 2.1 Refractive index
- 1.465-1.467
- 2.1 Flash Point
- 76℃
- 2.1 Precise Quality
- 113.084061
- 2.1 PSA
- 20.31000
- 2.1 logP
- 0.56660
- 2.1 Appearance
- Liquid
- 2.2 Storage
- Ambient temperatures.
- 2.3 Chemical Properties
- clear liquid
- 2.4 Color/Form
- Clear
- 2.5 PH
- 8-9 (100g/l, H2O, 20℃)
- 2.6 pKa
- -0.41±0.20(Predicted)
- 2.7 Stability
- Stable at room temperature in closed containers under normal storage and handling conditions.
- 2.8 StorageTemp
- Sealed in dry,Room Temperature
3. Safety and Handling
- 3.1 Symbol
- GHS05, GHS08
- 3.1 Hazard Codes
- Xn
- 3.1 Signal Word
- Danger
- 3.1 Risk Statements
- R22;R36
- 3.1 Safety Statements
- S26;S36
- 3.1 Hazard Declaration
- H318-H360D
- 3.1 Safety Profile
- Moderately toxic by ingestion. An eye irritant. Combustible. When heated to decomposition it emits toxic fumes of NOx. N-Ethyl-2-pyrrolidoneSupplier
- 3.2 Caution Statement
- P201-P280-P305 + P351 + P338 + P310-P308 + P313
- 3.2 WGK Germany
- 1
- 3.2 RTECS
- UY5769250
- 3.2 Report
-
Reported in EPA TSCA Inventory.
- 3.3 Safety
-
Moderately toxic by ingestion. An eye irritant. Combustible. When heated to decomposition it emits toxic fumes of NOx.Potential
The Hazard Codes: ?
Xn
The Risk Statements:
22:? Harmful if swallowed?
26:? Very Toxic by inhalation?
The Safety Statements:
26:? In case of contact with eyes, rinse immediately with plenty of water and seek medical advice?
36:? Wear suitable protective clothing?
- 3.4 Specification
-
?1-Ethyl-2-pyrrolidinone , its cas register number is 2687-91-4. It also can be called N-Ethylpyrrolidinone ; NEP ; and N-Ethyl-2-pyrrolidone . It is hazardous, so the first aid measures and others should be known. Such as: When on the skin: first, should flush skin with plenty of water immediately for at least 15 minutes while removing contaminated clothing. Secondly, get medical aid. Or in the eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Then get medical aid soon. While, it's inhaled: Remove from exposure and move to fresh air immediately. Then you have the ingesting of the product: Wash mouth out with water, and get medical aid immediately.
In addition, 1-Ethyl-2-pyrrolidinone (CAS NO.2687-91-4) could be stable under normal temperatures and pressures. It is not compatible with strong oxidizing agents, strong acids, strong bases, acid chlorides, and you must not take it with incompatible materials. And also prevent it to broken down into hazardous decomposition products:?Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, nitrogen.
- 3.5 Toxicity
-
Organism |
Test Type |
Route |
Reported Dose (Normalized Dose) |
Effect |
Source |
rat |
LD50 |
oral |
1350mg/kg (1350mg/kg) |
GASTROINTESTINAL: OTHER CHANGES
LIVER: OTHER CHANGES
KIDNEY, URETER, AND BLADDER: OTHER CHANGES |
Food and Chemical Toxicology. Vol. 26, Pg. 475, 1988. |
rat |
LD50 |
subcutaneous |
> 2gm/kg (2000mg/kg) |
? |
United States Patent Document. Vol. #4882359, |
1-Ethyl-2-pyrrolidinone (CAS NO.2687-91-4) hasn't been listed as a carcinogen by NTP, IARC, ACGIH, or CA Prop 65. And the toxicological properties have not been fully investigated. You can see actual entry in RTECS for complete information.
4. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
Reproductive toxicity, Category 1B
2.2 GHS label elements, including precautionary statements
Pictogram(s) | |
Signal word | Danger |
Hazard statement(s) | H360D |
Precautionary statement(s) | |
Prevention | P201 Obtain special instructions before use. P202 Do not handle until all safety precautions have been read and understood. P280 Wear protective gloves/protective clothing/eye protection/face protection. |
Response | P308+P313 IF exposed or concerned: Get medical advice/ attention. |
Storage | P405 Store locked up. |
Disposal | P501 Dispose of contents/container to ... |
2.3 Other hazards which do not result in classification
none
6. Synthesis Route
2687-91-4Total: 7 Synthesis Route
7. Other Information
- 7.0 Mesh Entry Terms
- N-ethyl-2-pyrrolidone
- 7.1 Production
- 1,000,000 - 10,000,000 lb
- 7.2 Manufacturing Info
- Paint and coating manufacturing|2-Pyrrolidinone, 1-ethyl-: ACTIVE|SP - indicates a substance that is identified in a proposed Significant New Use Rule.
- 7.3 BRN
- 107971
- 7.4 Uses
-
1-Ethyl-2-pyrrolidone was used to modify coir fiber (from Cocos nucifera) by photocuring.
- 7.5 Chemical Properties
- clear liquid
- 7.6 Safety Profile
- Moderately toxic by ingestion. An eye irritant. Combustible. When heated to decomposition it emits toxic fumes of NOx.
8. Computational chemical data
- Molecular Weight: 113.16g/mol
- Molecular Formula: C6H11NO
- Compound Is Canonicalized: True
- XLogP3-AA: null
- Exact Mass: 113.084063974
- Monoisotopic Mass: 113.084063974
- Complexity: 101
- Rotatable Bond Count: 1
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Topological Polar Surface Area: 20.3
- Heavy Atom Count: 8
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 1
- CACTVS Substructure Key Fingerprint: AAADccBiIAAAAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAAAAAAAHgAAAAAACADBgAQCAAMAAAAIAAEQEAAAAAAAAAAAAAEIAAAAABAAgAAEAAAABgCAAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
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