Methyl 2-methyl-4-oxotetrahydrofuran-3-carboxylate
Basic information
- CAS
89898-49-7- Standard SMILES
COC(=O)C1C(=O)COC1C- InChIKey
KVDHLXBTYUCUCR-UHFFFAOYSA-N- Molecular formula
- C7H10O4
- Average molar mass
- 158.15 g/mol
- Monoisotopic mass
- 158.0579088
Names & identifiers
- Preferred name
- Methyl 2-methyl-4-oxotetrahydrofuran-3-carboxylate
- IUPAC
- methyl 2-methyl-4-oxooxolane-3-carboxylate
- English name
- 2-Pentulose, 1,4-anhydro-3,5-dideoxy-3-(methoxycarbonyl)-
- Molecular formula
- C7H10O4
- Molecular weight
- 158.15
Names & synonyms
89898-49-7methyl 2-methyl-4-oxotetrahydrofuran-3-carboxylatemethyl 2-methyl-4-oxooxolane-3-carboxylateMETHYL 2-METHYL-4-OXO-OXOLANE-3-CARBOXYLATENSC332681SCHEMBL1299559DTXSID30318544KVDHLXBTYUCUCR-UHFFFAOYSA-NMFCD24691835AT41543NSC-332681AS-95836
Show more names
methyl 2-methyl-4-oxo-tetrahydrofuran-3-carboxylate2-Pentulose, 1,4-anhydro-3,5-dideoxy-3-(methoxycarbonyl)-
SY3821041,4-Anhydro-3,5-dideoxy-3-(methoxycarbonyl)pent-2-ulose
Database identifiers
- CAS
89898-49-7- PubChem CID
- 332983
- DTXSID
DTXSID30318544- EC Number
- 114-130-1
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 187
Physicochemical properties
- Boiling point
- 226.8 · 226.8±35.0 °C(Predicted)
- Density
- 1.181 · 1.181±0.06 g/cm3(Predicted)
- pka
- 10.79 · 10.79±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+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 CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
1 records
Compound notes
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