기본 정보
- 표준 SMILES
O=C1CCCN1C1CCCCC1- InChIKey
PZYDAVFRVJXFHS-UHFFFAOYSA-N- 분자식
- C10H17NO
- 평균 분자량
- 167.25 g/mol
- 단동위원소 질량
- 167.13101417
이름 및 식별자
- 우선 이름
- N-Cyclohexyl-2-pyrrolidone
- IUPAC
- 1-cyclohexylpyrrolidin-2-one
- 현지명
- 1-사이클로헥실-2-피롤리디논
- 영어명
- N-Cyclohexyl-2-pyrrolidone
- 분자식
- C10H17NO
- 분자량
- 167.25
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
6837-24-7- PubChem CID
- 81278
- DTXSID
DTXSID7044716- ChEMBL
CHEMBL3183929- UNII
- 7IM8P1VVNM
- EC Number
- 229-919-7
- Nikkaji
- J150.014G
물성
구조 계산 물성
- XLogP
- 1.6
- 극성 표면적
- 20.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 173
실험 및 물리화학적 성질
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]
물리화학적 성질
- 녹는점
- 12 °C · 12 °C
- 끓는 점
- 154 °C7 · 154 °C7 mm Hg(lit.)
- 밀도
- 1.007 g/mL · 1.007 g/mL at 25 °C(lit.)
- 증기압
- 0.05 mm · 0.05 mm Hg ( 25 °C)
- 굴절률
- 20 · n20/D 1.499(lit.)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- Sealed in dry,Room Temperature
- 물리적 상태
- 투명한 액체
- 산도 계수 (pKa)
- -0.49 · -0.49±0.20(Predicted)
- 색상
- Colorless to Orange to Green
- 수용성
- 녹는
- 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
- EPA
- 2 · 2-Pyrrolidinone, 1-cyclohexyl- (6837-24-7)
화학적 성질
clear liquid
안전 및 규제
GHS 분류
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.
유해성 정보
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.
독성 정보
규제 정보
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
안전 데이터
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- UY5748450
- ridadr
- UN 2810 6.1/PG 2
- HS 번호
- 29337900
- 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
- 포장분류
- III
- 위험 등급
- 8
- 기존화학 물질
- 2000-3-1506
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 OralEye Dam. 1Skin Corr. 1B
- 스토리지 클래스
- 8A - Combustible corrosive hazardous materials
화학 및 산업
용도 및 제조
General Manufacturing Information
Synthetic Dye and Pigment Manufacturing
2-Pyrrolidinone, 1-cyclohexyl-: ACTIVE
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
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연결된 노트
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