(-)-beta-Butyrolactone
Basic information
- CAS
65058-82-4- Standard SMILES
C[C@H]1CC(=O)O1- InChIKey
GSCLMSFRWBPUSK-VKHMYHEASA-N- Molecular formula
- C4H6O2
- Average molar mass
- 86.09 g/mol
- Monoisotopic mass
- 86.03677943
Names & identifiers
- Preferred name
- (-)-beta-Butyrolactone
- IUPAC
- (4S)-4-methyloxetan-2-one
- English name
- 2-Oxetanone, 4-Methyl-, (S)-
- Molecular formula
- C4H6O2
- Molecular weight
- 86.09
Names & synonyms
(-)-beta-Butyrolactone65058-82-4(4S)-4-methyloxetan-2-one(s)-beta-butyrolactone(S)-Butyrolactone(S)-4-Methyloxetan-2-onebeta-Butyrolactone, (-)-2-Oxetanone, 4-methyl-, (4S)-UNII-X25Z9LJI75(-)-beta-MethylpropiolactoneX25Z9LJI75(S)-?-Butyrolactone
Show more names
2-Oxetanone, 4-Methyl-, (S)-
SCHEMBL374192CHEMBL452927GSCLMSFRWBPUSK-VKHMYHEASA-N(-)-.BETA.-BUTYROLACTONE.BETA.-BUTYROLACTONE, (-)-AKOS015900345(-)-.BETA.-METHYLPROPIOLACTONEQ27293396
Database identifiers
- CAS
65058-82-4- PubChem CID
- 6998969
- ChEMBL
CHEMBL452927- UNII
- X25Z9LJI75
- Nikkaji
- J365.281E
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 77.6
Physicochemical properties
- Boiling point
- 163.2 · 163.2±0.0 °C(Predicted)
- Density
- 1.096 · 1.096±0.06 g/cm3(Predicted)
- solubility
- Chloroform (Sparingly), DMSO (Slightly)
- form
- Oil
- color
- Colourless
- FDA UNII
- 25 Z9LJI75 · X25Z9LJI75
Chemistry & industry
Applications
Uses(S)-β-Butyrolactone can be used in the preparation of biomimetic polyesters potentially capable of ion transport across cell membranes. It can also be used in the synthesis of (R,Z)- and (R,E)-14-methyl-8-hexadecenals (trogodermal), the sex pheromones of Trogoderma species.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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