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

名称と識別子

優先名称: N-ethyl-2-pyrrolidone
IUPAC: 1-ethylpyrrolidin-2-one
現地名: 1-エチル-2-ピロリドン
英語名: 1-Ethyl-2-pyrrolidone
分子式: C6H11NO
分子量: 113.16

名称と別名

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

名称をさらに表示

1-エチル-2-ピロリドン1-エチルピロリジン-2-オン1-エチル-2-ピロリジノン1エチル2ピロリドン1-エチル-2-ピロリドンピロリジノンＮエチル２ピロリドンN-エチル-2-アザペンタノンエチルピロリドン1‐エチル‐2‐ピロリジノンCDK7/サイクリンH1/MNAT1、活性型、HISタグ融合ヒトDDR1N-Ethyl-2-pyrrolidone (NEP)DDRCAKNEP crystal

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

データベース識別子

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

物性

構造計算による物性

XLogP: -0.1
極性表面積: 20.3 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 1
重原子数: 8
形式電荷: 0
複雑度: 101

実験および物理化学的性質

Vapor Pressure0.1 [mmHg]

Physical Description · 2 件

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]

物理化学的性質

融点: 87.5 · 87.5-88.5 °C
沸点: 97 °C/20 · 97 °C/20 mmHg (lit.)
比重(密度): 0.992 g/mL · 0.992 g/mL at 25 °C (lit.)
蒸気圧: 18 Pa · 18Pa at 20℃
屈折率: 20 · n20/D 1.465(lit.)
闪点: 169 °F · 169 °F
貯蔵温度: Sealed in dry,Room Temperature
酸解離定数(Pka): -0.41 · -0.41±0.20(Predicted)
外見: 液体
色: クリア
PH: 8 · 8-9 (100g/l, H2O, 20℃)
爆発限界(explosive limit): 1.3 · 1.3-7.7%(V)
由来生物: rabbit
水溶解度: 1000 g/L · 1000g/L at 23℃
BRN: 107971 · 107971
Specific Activity: 4.25 · 4.25-5.75nmol/min·mg
化粧品成分の機能: 溶媒
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℃
表面張力: 36.5 mN/m · 36.5mN/m at 293.15K
CAS データベース: 2687 · 2687-91-4(CAS DataBase Reference)
NISTの化学物質情報: 1 · 1-Ethyl-2-pyrrolidinone(2687-91-4)
EPAの化学物質情報: 2 · 2-Pyrrolidinone, 1-ethyl- (2687-91-4)

化学的性質

化学的特性N-Ethyl-2-pyrrolidone (NEP) is a colorless, clear liquid that serves as a low-volatility aprotic solvent classified as a reproductive toxicant. It is characterized by high solvency, low vapor pressure, and a low dielectric constant.

安全と法規制

GHS分類

GHS Classification · 6 件

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.

危険有害性情報

Regulatory Information · 6 件

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 件

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 件

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

安全と保護具

Exposure Control and Personal Protection · 2 件

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]

毒性情報

Adverse Effects · 1 件

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

法規制情報

Regulatory Information · 6 件

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

安全データ

wgk: 1
tsca: TSCA listed
rtecs: UY5769250
ridadr: UN1993
hs_code: 29337900
risk_code: 22-36-62-41-61
化審法: (5)-113
消防法: 危-4-3-III
hazard_code: Xn,T
safety_code: 26-36-45-36/37/39-53
hazard_class: 3
自然発火温度: 245°C (DIN 51794)
Hazard Classifications: Eye Dam. 1Repr. 1B
ストレージクラス: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

化学と産業

用途と製造

Uses · 2 件

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 件

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

応用分野 · 3 件

用途溶剤、有機合成中間体

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

一般的な説明1-Ethyl-2-pyrrolidone is a transdermal absorption-enhancing compound and mechanism of its effect on multilammellar liposome of stratum corneum lipid has been studied.