Basic information
- CAS
16112-59-7- Standard SMILES
CC1COC(=O)N1- InChIKey
VAJFEOKPKHIPEN-UHFFFAOYSA-N- Molecular formula
- C4H7NO2
- Average molar mass
- 101.1 g/mol
Names & identifiers
- Preferred name
- 4-Methyl-1,3-oxazolidin-2-one
- IUPAC
- 4-methyl-1,3-oxazolidin-2-one
- English name
- 2-Oxazolidinone, 4-methyl-
- Molecular formula
- C4H7NO2
- Molecular weight
- 101.1
Names & synonyms
4-methyl-1,3-oxazolidin-2-oneRefChem:524890982-260-34-methyloxazolidin-2-one16112-59-74-methyl-2-oxazolidinone2-Oxazolidinone, 4-methyl-MFCD205024094-Methyloxazolidine-2-one4-methyl-oxazolidin-2-oneSCHEMBL1289843SCHEMBL1289846
Show more names
SCHEMBL1935560SCHEMBL2746024SCHEMBL17966458VAJFEOKPKHIPEN-UHFFFAOYSA-NAKOS014922134SB21959BS-21622SY037847
Database identifiers
- CAS
16112-59-7- PubChem CID
- 9855455
- EC Number
- 982-260-3
- Nikkaji
- J1.306.255B
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 91.7
Physicochemical properties
- Melting point
- 56 · 56-57 °C
- Boiling point
- 109 · 109-111 °C(Press: 2 Torr)
- Density
- 1.095 · 1.095±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- pka
- 12.84 · 12.84±0.40(Predicted)
- form
- solid
- Appearance
- Colorless to light yellow Liquid
- InChI
- 1S/C4H7NO2/c1-3-2-7-4(6)5-3/h3H,2H2,1H3,(H,5,6)
- InChIKey
- VAJFEOKPKHIPEN-UHFFFAOYSA-N
- SMILES
- CC1COC(=O)N1
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317-H319
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- WGK 3
- hs_code
- 2934999090
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H317-H319
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses4-Methyl-2-oxazolidinone is derived from DL-Alaninol (A628760), which is a chemical reagent used in organic synthesis. Used in the preparation of polyunsaturated fatty acid amides showing anti-proliferative properties.
Upstream & downstream products
Upstream raw materials
Suppliers16 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
石家庄州昆医药科技有限公司0311-83784138 18633934202 · [email protected]
成都麦卡希化工有限公司028-85632863 18108198598 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海晶石医药科技有限公司021-000000 · [email protected]
Related reactions
47 records
Compound notes
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