Basic information
- CAS
95-38-5- Standard SMILES
CCCCCCCCC=CCCCCCCCC1=NCCN1CCO- InChIKey
WGTDLPBPQKAPMN-UHFFFAOYSA-N- Molecular formula
- C22H42N2O
- Average molar mass
- 350.6 g/mol
- Monoisotopic mass
- 350.32971397
Names & identifiers
- Preferred name
- 1H-Imidazole-1-ethanol, 2-(8-heptadecenyl)-4,5-dihydro-
- IUPAC
- 2-(2-heptadec-8-enyl-4,5-dihydroimidazol-1-yl)ethanol
- English name
- N-β-Hydroxyethyl oleyl imidazoline
- Molecular formula
- C22H42N2O
- Molecular weight
- 350.58
Names & synonyms
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
Show more names
UCL-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
Database identifiers
- CAS
95-38-5- PubChem CID
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 35.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 17
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 352
Experimental & physicochemical properties
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]
Physicochemical properties
- Boiling point
- 484.54 °C · 484.54°C (rough estimate)
- Density
- 0.93 · 0.9300
- refractive index
- 1.63 · 1.6300 (estimate)
- pka
- 15.07 · 15.07±0.10(Predicted)
- Viscosity
- 35.85 mm2/s · 35.85mm2/s
- Water Solubility
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
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
Hazard information
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
Chemistry & industry
Uses & manufacturing
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
Applications
UsesCorrosion inhibitor, acid-stable emulsifier.
General DescriptionN-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.
Suppliers44 total
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]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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