Basic information
- Standard SMILES
CN1CCN(C)C1=O- InChIKey
CYSGHNMQYZDMIA-UHFFFAOYSA-N- Molecular formula
- C5H10N2O
- Average molar mass
- 114.15 g/mol
- Monoisotopic mass
- 114.07931294
Overview
1,3-Dimethyl-2-imidazolidinon is an imidazolidinone.
Names & identifiers
- Preferred name
- 1,3-Dimethyl-2-imidazolidinone
- IUPAC
- 1,3-dimethylimidazolidin-2-one
- English name
- 1,3-Dimethyl-2-imidazolidinone
- Molecular formula
- C5H10N2O
- Molecular weight
- 114.15
Names & synonyms
Show more names
Database identifiers
- CAS
80-73-9- PubChem CID
- 6661
- DTXSID
DTXSID1073153- ChEMBL
CHEMBL12338- ChEBI
CHEBI:193015- UNII
- 5C1YQQ9M90
- EC Number
- 201-304-8
- Nikkaji
- J11.846J
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 23.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 101
Experimental & physicochemical properties
Physicochemical properties
- Melting point
- 8.2 °C · 8.2 °C
- Boiling point
- 224 · 224-226 °C (lit.)
- Density
- 1.056 g/mL · 1.056 g/mL at 25 °C (lit.)
- vapor pressure
- 1 hPa · <1 hPa (20 °C)
- refractive index
- 20 · n20/D 1.472(lit.)
- Flash point
- 220 °F · 220 °F
- storage temp.
- 5 °C · Store at +5°C to +30°C.
- solubility
- toluene: soluble(lit.)
- pka
- -0.65 · -0.65±0.20(Predicted)
- form
- Liquid
- color
- Clear
- explosive limit
- 1.3 · 1.3-8.4%(V)
- Viscosity
- 1.95 mm2/s · 1.95mm2/s
- Water Solubility
- freely soluble
- Sensitive
- Hygroscopic
- Merck
- 14 · 14,3249
- BRN
- 108808 · 108808
- Cosmetics Ingredients Functions
- HAIR CONDITIONINGHUMECTANTSKIN CONDITIONING
- InChI
- 1S/C5H10N2O/c1-6-3-4-7(2)5(6)8/h3-4H2,1-2H3
- InChIKey
- CYSGHNMQYZDMIA-UHFFFAOYSA-N
- SMILES
- CN1CCN(C)C1=O
- LogP
- -0.3 at · -0.3 at 25℃
- CAS DataBase Reference
- 80 · 80-73-9(CAS DataBase Reference)
- FDA UNII
- 5 C1YQQ9M90 · 5C1YQQ9M90
- NIST Chemistry Reference
- 1 · 1,3-Dimethyl-2-imidazolidinone(80-73-9)
- EPA Substance Registry System
- N,N'-Dimethylimidazolidinone (80-73-9)
- UNSPSC Code
- 12352115 · 12352115
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS07,GHS08
- Signal word
- Danger
- Hazard statements
- 302 · H302-H318-H361fd
- Precautionary statements
- 201 · P201-P202-P280-P301+P312-P305+P351+P338-P308+P313
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xn,Xi
- Risk Statements
- 21 · 21/22-38-41-36/38-62-22
- Safety Statements
- 26 · 26-36-36/37/39-36/37
- RIDADR
- 2810 · UN 2810 6.1/PG 3
- WGK Germany
- 3 · 3
- RTECS
- 660000 · NJ0660000
- F
- 3 · 3
- Autoignition Temperature
- 305 °C · 305 °C
- Hazard Note
- Harmful/Irritant
- TSCA
- TSCA listed
- HazardClass
- 6.1 · 6.1
- PackingGroup
- Ⅲ
- HS Code
- 29332990 · 29332990
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Dam. 1Repr. 2
- Toxicity
- 50 orally · LD50 orally in Rabbit: 1261 mg/kg LD50 dermal Rabbit 986 mg/kg
- REACH Registrations
- Active
- Limited Quantities
- 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (99.3%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P260, P262, P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P305+P354+P338, P316, P317, P318, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 301 reports by companies from 20 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H302: Harmful if swallowed [Warning Acute toxicity, oral]
Hazard information
Regulatory Information
Chemical: 2-Imidazolidinone, 1,3-dimethyl-
2-Imidazolidinone, 1,3-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Imidazolidinone, 1,3-dimethyl- 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)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 30-05-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/11777
1,3-Dimethyl-2-imidazolidinone: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Acute Tox. 4 (99.3%)
Acute toxicity (Oral) - Category 4
Safety data
- F
- 3
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- NJ0660000
- ridadr
- UN 2810 6.1/PG 3
- hs_code
- 29332990
- Toxicity
- LD50 orally in Rabbit: 1261 mg/kg LD50 dermal Rabbit 986 mg/kg
- risk_code
- 21/22-38-41-36/38-62-22
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07,GHS08
- hazard_code
- Xn,Xi
- hazard_note
- Harmful/Irritant
- safety_code
- 26-36-36/37/39-36/37
- hazard_class
- 6.1
- Storage Class
- 10 - Combustible liquids
- packing_group
- Ⅲ
- Hazard statements
- H302-H318-H361fd
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Repr. 2
- Autoignition Temperature
- 305 °C
- Precautionary statements
- P201-P202-P280-P301+P312-P305+P351+P338-P308+P313
Chemistry & industry
Uses & manufacturing
General Manufacturing Information
Pharmaceutical and Medicine Manufacturing
2-Imidazolidinone, 1,3-dimethyl-: ACTIVE
Applications
DescriptionDMI, a high purity aprotic solvent, is composed of nitrogen containing five membered ring compound and widely recognized as an epoch making solvent. It is a colorless, transparent, high polar solvent with high thermal and chemical stability and non-corrosiveness. The material has a high boiling point of 222° C, a high flash point of 120° C (open method) / 95° C (close method), and a low melting point of 7.5° C.
Uses1,3-Dimethyl-2-imidazolidinone is used as a high-boiling polar aprotic solvent. It is used as a substitute solvent for toxic hexamethylphosphoramide. It finds application in detergents, dyestuffs, electronic materials and in the manufacture of polymers. It is involved in the preparation of 1,2-bis(trimethylsilyl)benzene. Further, it is utilized as a solvent during alfa-regioselective prenylation of imines. In addition to this, it constitutes the mobile phase during size-exclusion chromatographic analysis of cellulose.
UsesDMI can be used in a variety of applications including detergents, dyestuffs, electronic materials and in the manufacture of polymers. Its versatility can be attributed to it. Of particular note are its excellent solubility for inorganic and organic compounds and high dielectric constant and solvation effect.
Uses1,3-Dimethyl-2-imidazolidinone may be used:As substitute solvent for hexamethylphosphoric triamide (HMPA) in the synthesis of 1,2-bis(trimethylsilyl)benzene. As solvent during the α-regioselective prenylation of imine.As component of mobile phase for the size-exclusion chromatographic analysis of cellulose.
General Description1,3-Dimethyl-2-imidazolidinone (DMI) is an imidazolidine derivative. It is reported to act as a promoter by minimizing the formation of dialkylation byproducts and accelerating the rate of monoalkylation of γ-butyrolactone. Conversion of CO2 to form lower alcohols by homogeneous catalytic hydrogenation using DMI as solvent has been investigated.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
Additional notes
DefinitionChEBI: 1,3-Dimethyl-2-imidazolidinon is an imidazolidinone.
Related reactions
Linked notes
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