기본 정보
- CAS
95-38-5- 표준 SMILES
CCCCCCCCC=CCCCCCCCC1=NCCN1CCO- InChIKey
WGTDLPBPQKAPMN-UHFFFAOYSA-N- 분자식
- C22H42N2O
- 평균 분자량
- 350.6 g/mol
- 단동위원소 질량
- 350.32971397
이름 및 식별자
- 우선 이름
- 1H-Imidazole-1-ethanol, 2-(8-heptadecenyl)-4,5-dihydro-
- IUPAC
- 2-(2-heptadec-8-enyl-4,5-dihydroimidazol-1-yl)ethanol
- 현지명
- 2-(8-헵타데켄일)-4,5-다이하이드로-1H-이미다졸-1-에탄올
- 영어명
- N-β-Hydroxyethyl oleyl imidazoline
- 분자식
- C22H42N2O
- 분자량
- 350.58
이름 및 동의어
95-38-51H-Imidazole-1-ethanol, 2-(8-heptadecenyl)-4,5-dihydro-AMINO O33SRL989CCNSC-2316492-(8-Heptadecenyl)-4,5-dihydro-1H-imidazole-1-ethanolUCL 5410OLEYL HYDROXYETHYL IMIDAZOLINE E-FORM [MI]2-IMIDAZOLINE-1-ETHANOL, 2-(8-HEPTADECENYL)-RefChem:197190OLEYL HYDROXYETHYL IMIDAZOLINE E-FORM202-414-9
이름 더 보기
2-(8-헵타데켄일)-4,5-다이하이드로-1H-이미다졸-1-에탄올UCL-5410amine220Rz-Amine Ofrom Lubrizolnalcamineg-13oleylimidazolineAMINE O from BASFImidazoline derivative1-ETHOXYL-2-OLEYL IMIDAZOLINE
2-(8-Heptadecenyl)-2-imidazoline-1-ethanol2-(2-Heptadec-8-enyl-2-imidazolin-1-yl)ethanolDTXSID2036112Nalcamine G-131H-Imidazole-1-ethanol, 2-(8-heptadecen-1-yl)-4,5-dihydro-n-b-hydroxyethyl oleyl imidazolineSCHEMBL1960162-(8-HEPTADECENYL)-2-IMIDAZOLINE-1- ETHANOL
데이터베이스 식별자
- CAS
물성
구조 계산 물성
- XLogP
- 6.2
- 극성 표면적
- 35.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 17
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 352
실험 및 물리화학적 성질
Chemical ClassesNitrogen Compounds -> Imidazoles
Food Contact Substances
FCS -> FDA Cumulative Estimated Daily Intake (CEDI)
FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical Description
Liquid
Clear, yellow to brown liquid with a strong odor of amines; [Ciba MSDS]
Collision Cross Section199.8 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID2036112]
물리화학적 성질
- 끓는 점
- 484.54 °C · 484.54°C (rough estimate)
- 밀도
- 0.93 · 0.9300
- 굴절률
- 1.63 · 1.6300 (estimate)
- 산도 계수 (pKa)
- 15.07 · 15.07±0.10(Predicted)
- 수용성
- 2.4 μg/L · 2.4μg/L at 25℃
- InChI
- InChI=1S/C22H42N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-23-18-19-24(22)20-21-25/h9-10,25H,2-8,11-21H2,1H3
- InChIKey
- WGTDLPBPQKAPMN-UHFFFAOYSA-N
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 5.1% (31 of 605) of reports.
Danger
H302 (94.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P333+P317, P362+P364, P363, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 605 reports by companies from 33 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
유해성 정보
Regulatory Information
Chemical: 1H-Imidazole-1-ethanol, 2-(8-heptadecenyl)-4,5-dihydro-
1H-Imidazole-1-ethanol, 2-(8-heptadecen-1-yl)-4,5-dihydro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1H-Imidazole-1-ethanol, 2-(8-heptadecen-1-yl)-4,5-dihydro- 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)
REACH registered substance: 2-(2-heptadec-8-enyl-2-imidazolin-1-yl)ethanol (EC: 202-414-9)
1H-Imidazole-1-ethanol, 2-(8-heptadecenyl)-4,5-dihydro-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Long-chain alkyl hydroxyethyl imidazolines
Hazards Summary
No evidence of reproductive toxicity, developmental toxicity, or teratogenicity in 1-generation oral study of rats; [EPA ChAMP] Intravenous LD50 (mouse) = 88 mg/kg; [RTECS] Causes burns; Harmful by ingestion; [Ciba MSDS] See 1-(2-Hydroxyethyl)-2-undecylimidazoline.
Hazard Classes and Categories
Acute Tox. 4 (94.5%)
화학 및 산업
용도 및 제조
UsesPermitted for use as an inert ingredient in non-food pesticide products; [EPA]
U.S. Production2023: 550,000 - <1,000,000 lb
Consumer UsesLubricating agent
Industry UsesStabilizing agent
Household ProductsInformation on 2 consumer products that contain 2-Imidazoline-1-ethanol, 2-(8-heptadecenyl)- in the following categories is provided:
General Manufacturing Information
Fabricated Metal Product Manufacturing
1H-Imidazole-1-ethanol, 2-(8-heptadecen-1-yl)-4,5-dihydro-: ACTIVE
응용 분야
용도Corrosion inhibitor, acid-stable emulsifier.
일반 설명N-b-Hydroxyethyl oleyl imidazoline is a selective enzyme inhibitor targeting DIO, with an IC50 of 3.9 μM against human DIO3. N-b-Hydroxyethyl oleyl imidazoline binds to the catalytic domain of deiodinase and blocks the deiodination catalytic reaction of thyroid hormone molecules. N-b-Hydroxyethyl oleyl imidazoline can be used in studies related to the functional regulation of thyroid deiodinases.
공급사44 곳
南通润丰石油化工有限公司66017690 19952660367 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
杭州鼎燕化工有限公司13588754826 13588754826 · [email protected]
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