Methyl 2-oxooxolane-3-carboxylate
Basic information
- CAS
19406-00-9- Standard SMILES
COC(=O)C1CCOC1=O- InChIKey
KBFOCDFPJBIMBD-UHFFFAOYSA-N- Molecular formula
- C6H8O4
- Average molar mass
- 144.12 g/mol
- Monoisotopic mass
- 144.04225873
Names & identifiers
- Preferred name
- Methyl 2-oxooxolane-3-carboxylate
- IUPAC
- methyl 2-oxooxolane-3-carboxylate
- English name
- Methyl 2-oxotetrahydrofuran-3-carboxylate
- Molecular formula
- C6H8O4
- Molecular weight
- 144.13
Names & synonyms
methyl 2-oxooxolane-3-carboxylateRefChem:814595989-638-7Methyl 2-oxotetrahydrofuran-3-carboxylate19406-00-93-Furancarboxylic acid, tetrahydro-2-oxo-, methyl esterMFCD10569624NSC2389572-Oxotetrahydrofuran-3-carboxylic acid methyl esterSCHEMBL2377632DTXSID20311145Methyl2-oxotetrahydrofuran-3-carboxylate
Show more names
100260methyl (3S)-2-oxooxolane-3-carboxylate
127915-15-5KBFOCDFPJBIMBD-UHFFFAOYSA-NUAA40600AKOS016001150NSC-238957AS-64880methyl 2-oxotetrahydro-3-furancarboxylateSY112590
Database identifiers
- CAS
19406-00-9- PubChem CID
- 315161
- DTXSID
DTXSID20311145- EC Number
- 989-638-7
- Nikkaji
- J1.062.346D
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 163
Physicochemical properties
- Boiling point
- 110 °C · 110 °C(Press: 0.5 Torr)
- Density
- 1.265 · 1.265±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 13.12 · 13.12±0.20(Predicted)
- Appearance
- Colorless to light yellow Liquid
- InChI
- InChI=1S/C6H8O4/c1-9-5(7)4-2-3-10-6(4)8/h4H,2-3H2,1H3
- InChIKey
- KBFOCDFPJBIMBD-UHFFFAOYSA-N
- SMILES
- O1CCC(C(OC)=O)C1=O
- Symbol(GHS)
- 7 · GHS07
- Signal word
- warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405
- HS Code
- 2932190090 · 2932190090
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
Warning
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+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 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Safety data
- hs_code
- 2932190090
- Signal word
- warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
3 records
Compound notes
Loading…