Basic information
- Standard SMILES
CCCCCCCCCCCC1=NCCN1CCO- InChIKey
QNDGQRJVVZJMJO-UHFFFAOYSA-N- Molecular formula
- C16H32N2O
- Average molar mass
- 268.44 g/mol
- Monoisotopic mass
- 268.25146365
Names & identifiers
- Preferred name
- 1-(2-Hydroxyethyl)-2-undecylimidazoline
- IUPAC
- 2-(2-undecyl-4,5-dihydroimidazol-1-yl)ethanol
- English name
- 4,5-dihydro-2-undecyl-1H-imidazole-1-ethanol
- Molecular formula
- C16H32N2O
- Molecular weight
- 268.44
Names & synonyms
Show more names
Database identifiers
- CAS
136-99-2- PubChem CID
- 8709
- DTXSID
DTXSID0059667- ChEMBL
CHEMBL4454230- UNII
- 0B4PCW98KD
- EC Number
- 205-271-0
- Nikkaji
- J184.406G
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 35.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 12
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 241
Experimental & physicochemical properties
Physicochemical properties
- Melting point
- 57 °C · 57 °C
- Boiling point
- 210 · 210-220 °C(Press: 1 Torr)
- Density
- 0.98 · 0.98±0.1 g/cm3(Predicted)
- vapor pressure
- 0 Pa · 0Pa at 20℃
- pka
- 15.07 · 15.07±0.10(Predicted)
- Water Solubility
- 33.9 mg/L · 33.9mg/L at 20℃
- Cosmetics Ingredients Functions
- HAIR CONDITIONINGANTISTATIC
- LogP
- 1.85 at · 1.85 at 20℃
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 0 B4PCW98KD · 0B4PCW98KD
- EPA Substance Registry System
- 1 H-Imidazole-1-ethanol, · 1H-Imidazole-1-ethanol, 4,5-dihydro-2-undecyl- (136-99-2)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H400-H319-H314-H410
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P273-P391-P501-P273-P391-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
- RIDADR
- 3267 · 3267
- TSCA
- TSCA listed
- HazardClass
- 8 · 8
- PackingGroup
- III
- Hazardous Substances Data
- 136 · 136-99-2(Hazardous Substances Data)
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 96.7% (441 of 456) of all reports.
Not Classified;Reported as not meeting GHS hazard criteria by 441 of 456 companies (only 3.3% companies provided GHS information). For more detailed information, please visit ECHA C&L website.
Aggregated GHS information provided per 456 reports by companies from 4 notifications to the ECHA C&L Inventory.;Reported as not meeting GHS hazard criteria per 441 of 456 reports by companies.;There are 3 notifications provided by 15 of 456 reports by companies with hazard statement code(s).;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.
Warning
H302: Harmful if swallowed [Warning Acute toxicity, oral];H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard];H410: Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
Hazard information
Regulatory Information
Chemical: 1H-Imidazole-1-ethanol, 4,5-dihydro-2-undecyl-
1H-Imidazole-1-ethanol, 4,5-dihydro-2-undecyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1H-Imidazole-1-ethanol, 4,5-dihydro-2-undecyl- 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: 30-08-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/26475;Status: Active Update: 23-02-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/17297
1H-Imidazole-1-ethanol, 4,5-dihydro-2-undecyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Not Classified
Acute toxicity (ingestion) - category 4;Skin corrosion - category 1B;Eye damage - category 1
Acute toxicity (Oral) - Category 4;Hazardous to the aquatic environment (Acute) - Category 1;Hazardous to the aquatic environment (Long-term) - Category 1
Regulatory information
Regulatory Information
Chemical: 1H-Imidazole-1-ethanol, 4,5-dihydro-2-undecyl-
1H-Imidazole-1-ethanol, 4,5-dihydro-2-undecyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1H-Imidazole-1-ethanol, 4,5-dihydro-2-undecyl- 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: 30-08-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/26475;Status: Active Update: 23-02-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/17297
1H-Imidazole-1-ethanol, 4,5-dihydro-2-undecyl-: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- tsca
- TSCA listed
- ridadr
- 3267
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- 8
- packing_group
- III
- Hazard statements
- H302-H400-H319-H314-H410
- REACH Registrations
- Active
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P273-P391-P501-P273-P391-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
- Hazardous Substances Data
- 136-99-2(Hazardous Substances Data)
Chemistry & industry
Uses & manufacturing
Uses
Used as a corrosion inhibitor in paints and cutting oils and as a chemical intermediate for other surfactants; Used in mixtures as a textile softener and antistatic agent, corrosion inhibitor and fungicide in the petroleum industry, antistatic agent for plastic films, acid cleaner, emulsifier (tar, asphalt, and pesticides), wetting agent, and cosmetic ingredient; [HSDB]
Acid and Alkali Cleaning of Metals [Category: Clean];Metal Machining [Category: Heat or Machine];Petroleum Production and Refining [Category: Industry];Textiles (Fiber & Fabric Manufacturing) [Category: Industry];Painting (Pigments, Binders, and Biocides) [Category: Paint];Textiles (Printing, Dyeing, or Finishing) [Category: Industry]
TEXTILE ASSISTANT, SOFTENER & ANTISTATIC AGENT (AS MIXT)
CORROSION INHIBITOR & FUNGICIDE IN PETROLEUM INDUST-MIXT
CORROSION INHIBITOR, EG, IN LATEX PAINTS, CUTTING OILS
ACID CLEANER-EG, FOR DAIRY CANS, TOILETS, METALS-AS MIXT
U.S. Exports
(1979) No Data
(1981) No Data
U.S. Imports
(1979) No Data
(1981) No Data
U.S. Production
2023: 550,000 - <700,000 lb;2022: 1,000,000 - <2,500,000 lb;2021: 1,000,000 - <2,500,000 lb;2020: 1,000,000 - <2,500,000 lb
(1977) AT LEAST 5.0X10+8 GRAMS
(1981) 6.63X10+7 G (MIXT WITH C13 ANALOGUE)
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing;Soap, Cleaning Compound, and Toilet Preparation Manufacturing
1H-Imidazole-1-ethanol, 4,5-dihydro-2-undecyl-: ACTIVE
"NALCAMINE" TRADEMARK FOR A GROUP OF ORGANIC AMINES. /NALCAMINE/
Suppliers16 total
Related reactions
Linked notes
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