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N-Ethyl-2-pyrrolidone structure
N-Ethyl-2-pyrrolidone structure

N-Ethyl-2-pyrrolidone

Iupac Name:1-ethylpyrrolidin-2-one
CAS No.:2687-91-4
Molecular Weight:113.16
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
3.1 Density
0.992
3.1 Melting point
87.5-88.5 °C
3.1 Boiling point
97℃ (20 mmHg)
3.1 Refractive index
1.465-1.467
3.1 Flash Point
76℃
3.1 Precise Quality
113.084061
3.1 PSA
20.31000
3.1 logP
0.56660
3.1 Appearance
clear liquid
3.2 Chemical Properties
clear liquid
3.3 Color/Form
Clear
3.4 PH
8-9 (100g/l, H2O, 20℃)
3.5 pKa
-0.41±0.20(Predicted)
3.6 Stability
Stable at room temperature in closed containers under normal storage and handling conditions.
3.7 StorageTemp
Sealed in dry,Room Temperature
3. Use and Manufacturing
4.1 Safety Profile
Moderately toxic by ingestion. An eye irritant. Combustible. When heated to decomposition it emits toxic fumes of NOx. N-Ethyl-2-pyrrolidoneSupplier
4.2 Storage
Ambient temperatures.
4. Safety and Handling
5.1 Symbol
GHS05, GHS08
5.1 Hazard Codes
Xn
5.1 Signal Word
Danger
5.1 Risk Statements
R22;R36
5.1 Safety Statements
S26;S36
5.1 Hazard Declaration
H318-H360D
5.1 Caution Statement
P201-P280-P305 + P351 + P338 + P310-P308 + P313
5.1 WGK Germany
1
5.1 RTECS
UY5769250
5.1 Report

Reported in EPA TSCA Inventory.

5.2 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?

5.3 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.

5.4 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.

5. 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

8. Other Information
8.0 BRN
107971
8.1 Uses
1-Ethyl-2-pyrrolidone was used to modify coir fiber (from Cocos nucifera) by photocuring.
8.2 Chemical Properties
clear liquid
8.3 Safety Profile
Moderately toxic by ingestion. An eye irritant. Combustible. When heated to decomposition it emits toxic fumes of NOx.
9. Computational chemical data
  • Molecular Weight:113.16g/mol
  • Molecular Formula:C6H11NO
  • Compound Is Canonicalized:True
  • XLogP3-AA:
  • 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
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