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

이름 및 식별자

우선 이름: N-ethyl-2-pyrrolidone
IUPAC: 1-ethylpyrrolidin-2-one
현지명: N- 에틸 -2- 피 롤리 돈
영어명: 1-Ethyl-2-pyrrolidone
분자식: C6H11NO
분자량: 113.16

이름 및 동의어

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

이름 더 보기

1-에틸-2-피롤리딘온1-에틸-2-피롤리디논에틸(1-)-2-피롤요돈2-피롤리딘온,1-에틸-에틸피롤리돈1-에틸-2-피롤리디논(1-ETHYL-2-PYRROLIDINONE)N- 에틸 -2- 피 롤리 돈1-에틸-2-피롤리돈1-에틸아자사이클로펜탄-2-온1-에틸피롤리딘-2-온2-피롤리딘온, 1-에틸-N-에틸-a-피롤리딘온N-에틸-감마-뷰티로락탐N-에틸피롤리돈N-에틸피롤리딘온N-에틸-2-피롤리돈DDR1N-Ethyl-2-pyrrolidone (NEP)DDRCAKNEP crystal

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: -0.1
극성 표면적: 20.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 8
형식 전하: 0
복잡도: 101

실험 및 물리화학적 성질

Vapor Pressure0.1 [mmHg]

Physical Description · 2건

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]

물리화학적 성질

녹는점: 87.5 · 87.5-88.5 °C
끓는 점: 97 °C/20 · 97 °C/20 mmHg (lit.)
밀도: 0.992 g/mL · 0.992 g/mL at 25 °C (lit.)
증기압: 18 Pa · 18Pa at 20℃
굴절률: 20 · n20/D 1.465(lit.)
인화점: 169 °F · 169 °F
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): -0.41 · -0.41±0.20(Predicted)
물리적 상태: 액체
색상: 투명한
수소이온지수(pH): 8 · 8-9 (100g/l, H2O, 20℃)
폭발한계: 1.3 · 1.3-7.7%(V)
생물학적 소스: rabbit
수용성: 1000 g/L · 1000g/L at 23℃
BRN: 107971 · 107971
Specific Activity: 4.25 · 4.25-5.75nmol/min·mg
화장품 원료 기능: 용제
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℃
표면장력: 36.5 mN/m · 36.5mN/m at 293.15K
NIST: 1 · 1-Ethyl-2-pyrrolidinone(2687-91-4)
EPA: 2 · 2-Pyrrolidinone, 1-ethyl- (2687-91-4)

화학적 성질

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.

안전 및 규제

GHS 분류

GHS Classification · 6건

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.

유해성 정보

Regulatory Information · 6건

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 · 1건

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 · 4건

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

안전 및 보호

Exposure Control and Personal Protection · 2건

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]

독성 정보

Adverse Effects · 1건

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

규제 정보

Regulatory Information · 6건

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

안전 데이터

wgk: 1
tsca: TSCA listed
rtecs: UY5769250
ridadr: UN1993
HS 번호: 29337900
risk_code: 22-36-62-41-61
hazard_code: Xn,T
safety_code: 26-36-45-36/37/39-53
위험 등급: 3
기존화학 물질: 2001-3-1720
자연 발화 온도: 245°C (DIN 51794)
Hazard Classifications: Eye Dam. 1Repr. 1B
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

용도 및 제조

Uses · 2건

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 · 2건

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

응용 분야 · 3건

용도피 롤리 돈 계열 제품 생산에 사용되며 유질 정제, 화약, 코팅, 염료, 내열성 거대 분자량 중합 수지, 고무 탈지, 빛이 안티 에칭 시약은 약제를 벗겨 내고 시약은 의약품, 에폭시, 아세틸렌, 피 프로 릴렌 추출물, 천연 가스 탈황, 합성 섬유 방사 매체, 안료 분산기 등을 발사합니다.

용도1-Ethyl-2-pyrrolidone was used to modify coir fiber (from Cocos nucifera) by photocuring.

일반 설명1-Ethyl-2-pyrrolidone is a transdermal absorption-enhancing compound and mechanism of its effect on multilammellar liposome of stratum corneum lipid has been studied.