(R)-(-)-GAMMA-ETHOXYCARBONYL-GAMMA-BUTYROLACTONE
- Iupac Name：ethyl (2R)-5-oxooxolane-2-carboxylate
- CAS No.: 33019-03-3
- Molecular Weight：158.15
- Modify Date.: 2022-11-25 04:38
1. Names and Identifiers
- 1.1 Name
- (R)-(-)-GAMMA-ETHOXYCARBONYL-GAMMA-BUTYROLACTONE
- 1.2 Synonyms
(-)-Ethyl (R)-5-oxotetrahydro-2-furancarboxylate (-)-ethyl (R)-5-oxotetrahydrofuran-2-carboxylate (R)-(-)-GAMMA-ETHOXYCARBONYL-GAMMA-BUTYROLACTONE (R)-(?-Ethyl (R)-5-oxotetrahydro-2-furancarboxylate 2-Furancarboxylic acid, tetrahydro-5-oxo-, ethyl ester, (2R)- D-5-OXO-2-TETRAHYDROFURANCARBOXYLATE ETHYL (R-) ethoxycarbonyl-gamma-butyrolactone
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- 1.3 CAS No.
- 33019-03-3
- 1.4 CID
- 853168
- 1.5 Molecular Formula
- C7H10O4 (isomer)
- 1.6 Inchi
- InChI=1S/C7H10O4/c1-2-10-7(9)5-3-4-6(8)11-5/h5H,2-4H2,1H3/t5-/m1/s1
- 1.7 InChIkey
- MJQGWRVDIFBMNW-RXMQYKEDSA-N
- 1.8 Canonical Smiles
- CCOC(=O)C1CCC(=O)O1
- 1.9 Isomers Smiles
- CCOC(=O)[C@H]1CCC(=O)O1
2. Properties
- 2.1 Density
- 1.163 g/mL at 25 °C(lit.)
- 2.1 Boiling point
- 151-155 °C12 mm Hg(lit.)
- 2.1 Refractive index
- n20/D 1.448(lit.)
- 2.1 Flash Point
- >230 °F
- 2.1 Precise Quality
- 158.05800
- 2.1 PSA
- 52.60000
- 2.1 logP
- 0.25510
3. Safety and Handling
- 3.1 Safety Statements
- 23-24/25
- 3.1 WGK Germany
- 3
4. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
no data available
2.2 GHS label elements, including precautionary statements
| Pictogram(s) | no data available |
| Signal word | no data available |
| Hazard statement(s) | no data available |
| Precautionary statement(s) | |
| Prevention | no data available |
| Response | no data available |
| Storage | no data available |
| Disposal | no data available |
2.3 Other hazards which do not result in classification
no data available
5. Synthesis Route
33019-03-3Total: 1 Synthesis Route
6. Computational chemical data
- Molecular Weight: 158.15g/mol
- Molecular Formula: C7H10O4
- Compound Is Canonicalized: True
- XLogP3-AA: 0.5
- Exact Mass: 158.05790880
- Monoisotopic Mass: 158.05790880
- Complexity: 175
- Rotatable Bond Count: 3
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Topological Polar Surface Area: 52.6
- Heavy Atom Count: 11
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 1
- CACTVS Substructure Key Fingerprint: AAADccBgOAAAAAAAAAAAAAAAAAAAASAAAAAAAAAAAAAAAAAAAAAAGgAAAAAACBSggAICCAAABAAIAACQCAIAAAAAAAAAAAFAAAABABIAAAQCAAAEAAACAACKJggAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
7. Recommended Suppliers
8. Realated Product Infomation
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