Basic information
- CAS
16112-59-7- Standard SMILES
CN1CCOC1=O- InChIKey
VWIIJDNADIEEDB-UHFFFAOYSA-N- Molecular formula
- C4H7NO2
- Average molar mass
- 101.1 g/mol
- Monoisotopic mass
- 101.04767846
Names & identifiers
- Preferred name
- 2-Oxazolidinone, 3-methyl-
- IUPAC
- 3-methyl-1,3-oxazolidin-2-one
- English name
- 3-Methyl-2-oxazolidone
- Molecular formula
- C4H7NO2
- Molecular weight
- 101.1
Names & synonyms
3-Methyl-2-oxazolidone19836-78-32-OXAZOLIDINONE, 3-METHYL-3-Methyl-2-oxazolidinone3-Methyl-1,3-oxazolidin-2-oneN-MethyloxazolidoneBRN 0107744EINECS 243-361-1N-Methyl-2-oxazolidoneN-Methyl-2-oxazolidinone4-27-00-02517 (Beilstein Handbook Reference)DTXSID0066537
Show more names
3-METHYL-2-OZAZOLIDONE3-methyl-2-oxazolidinon3-methyloxazolidine-2-one3-methyl-oxazolidin-2-one
RefChem:88893DTXCID2036168InChI=1/C4H7NO2/c1-5-2-3-7-4(5)6/h2-3H2,1HVWIIJDNADIEEDB-UHFFFAOYSA-N3-Methyloxazolidin-2-one2-Oxo-3-methyloxazolidineMFCD000097592-Oxazolidinone,4-methyl-
Database identifiers
- CAS
16112-59-7、19836-78-3- PubChem CID
- 29831
- DTXSID
DTXSID0066537- EC Number
- 243-361-1
- Nikkaji
- J34.517B
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 91.7
Physicochemical properties
- Melting point
- 15 °C · 15 °C(lit.)
- Boiling point
- 87 · 87-90 °C1 mm Hg(lit.)
- Density
- 1.17 g/mL · 1.17 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.454(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 2 · Storage temp. 2-8°C
- pka
- -1.34 · -1.34±0.20(Predicted)
- form
- powder to lump to clear liquid
- color
- White or Colorless to Light yellow
- Dielectric constant
- 79.3 · 79.299999999999997
- InChI
- InChI=1S/C4H7NO2/c1-5-2-3-7-4(5)6/h2-3H2,1H3
- InChIKey
- VWIIJDNADIEEDB-UHFFFAOYSA-N
- SMILES
- O1CCN(C)C1=O
- EPA Substance Registry System
- 2 · 2-Oxazolidinone, 3-methyl- (19836-78-3)
- UNSPSC Code
- 12352100 · 12352100
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 3.5% (5 of 141) of reports.
Danger
H318 (75.2%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P354+P338, P317, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 141 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationChemical: 2-Oxazolidinone, 3-methyl-
Hazard Classes and CategoriesEye Dam. 1 (75.2%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- RQ3550000
- hs_code
- 2934999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H315-H319-H335
- REACH Registrations
- Active
- Precautionary statements
- P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Oxazolidinone, 3-methyl-: ACTIVE
Applications
Uses3-Methyl-2-oxazolidinone mixed with ethylene carbonate or dimethyl carbonate in the presence of lithium tetrafluoroborate or lithium hexafluorophosphate has been used as an electrolyte in lithium batteries.
Upstream & downstream products
Upstream raw materials
Suppliers
Related reactions
2 records
Compound notes
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