2-[(2-Ethyl-6-methylphenyl)amino]-1-propanol
Basic information
- CAS
61520-53-4- Standard SMILES
CCc1cccc(C)c1NC(C)CO- InChIKey
ALFXNLHLMQREPR-UHFFFAOYSA-N- Molecular formula
- C12H19NO
- Average molar mass
- 193.28 g/mol
- Monoisotopic mass
- 193.14666423
Names & identifiers
- Preferred name
- 2-[(2-Ethyl-6-methylphenyl)amino]-1-propanol
- IUPAC
- 2-(2-ethyl-6-methylanilino)propan-1-ol
- English name
- 2-[(2-Ethyl-6-methylphenyl)amino]-1-propanol
- Molecular formula
- C12H19NO
- Molecular weight
- 193.29
Names & synonyms
2-[(2-ETHYL-6-METHYLPHENYL)AMINO]-1-PROPANOL2-[(2-ETHYL-6-METHYLPHENYL)AMINO]PROPAN-1-OLDTXSID008668602-((2-ethyl-6-methylphenyl)amino)propan-1-ol2-((2-ETHYL-6-METHYLPHENYL)AMINO)-1-PROPANOLRefChem:462673DTXCID80815093832-329-861520-53-4Deschloroacetylmetolachlor propanol2-(2-ethyl-6-methylanilino)propan-1-olCGA-37913
Show more names
1-Propanol, 2-((2-ethyl-6-methylphenyl)amino)-Z616855Z4XMetolachlor-des(chloroacetyl)-O-desmethyl1-Propanol, 2-[(2-ethyl-6-methylphenyl)amino]-UNII-Z616855Z4X2-[(2-Ethyl-6-methylphenyl)amino]-1-propanol; CGA 37913; Deschloroacetylmetolachlor propanol; N-(1-Hydroxy-2-propyl)-2-ethyl-6-methylanilineCGA 37913SCHEMBL9777506
Database identifiers
- CAS
61520-53-4- PubChem CID
- 182298
- DTXSID
DTXSID00866860- UNII
- Z616855Z4X
- EC Number
- 832-329-8
- Nikkaji
- J2.280.751J
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 160
Experimental & physicochemical properties
PesticidesPesticide degradation product
Physicochemical properties
- Boiling point
- 333.8 · 333.8±30.0 °C(Predicted)
- Density
- 1.023 · 1.023±0.06 g/cm3(Predicted)
- storage temp.
- Refrigerator, Under inert atmosphere
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Oil
- pka
- 14.66 · 14.66±0.10(Predicted)
- color
- Colourless to Pale Yellow
- FDA UNII
- 616855 Z4X · Z616855Z4X
- EPA Substance Registry System
- 1 · 1-Propanol, 2-[(2-ethyl-6-methylphenyl)amino]- (61520-53-4)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 302 · H302-H318-H315-H335
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Toxicology
USGS Health-Based Screening Levels for Evaluating Water-Quality
2-[(2-Ethyl-6-methylphenyl)amino]-1-propanol
Pesticide degradation product
Smith, C.D. and Nowell, L.H., 2024. Health-Based Screening Levels for evaluating water-quality data (3rd ed.). DOI:10.5066/F71C1TWP
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H302-H318-H315-H335
- Precautionary statements
- P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Applications
UsesDeschloroacetylmetolachlor Propanol is a pesticide that is detected in drinking water.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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