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3-methylbutyrolactone

group of stereoisomers with the chemical formula C₅H₈O₂
ChemicalSubstance group_of_stereoisomers Q104253294
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3-methylbutyrolactone

Summary

3-methylbutyrolactone is a group of stereoisomers[1].

Key Facts

  • 3-methylbutyrolactone's instance of is recorded as group of stereoisomers[2].
  • 3-methylbutyrolactone's CAS Registry Number is recorded as 1679-47-6[3].
  • 3-methylbutyrolactone's canonical SMILES is recorded as O=C1OCCC1C[4].
  • 3-methylbutyrolactone's InChI is recorded as InChI=1S/C5H8O2/c1-4-2-3-7-5(4)6/h4H,2-3H2,1H3[5].
  • 3-methylbutyrolactone's InChIKey is recorded as QGLBZNZGBLRJGS-UHFFFAOYSA-N[6].
  • 3-methylbutyrolactone's chemical formula is recorded as C₅H₈O₂[7].
  • 3-methylbutyrolactone's subclass of is recorded as long-chain fatty acid ethyl ester[8].
  • 3-methylbutyrolactone's UNII is recorded as 140H0G0P5W[9].
  • 3-methylbutyrolactone's PubChem CID is recorded as 98323[10].
  • 3-methylbutyrolactone's ChEBI ID is recorded as 173343[11].
  • 3-methylbutyrolactone's found in taxon is recorded as Coffea arabica[12].
  • 3-methylbutyrolactone's found in taxon is recorded as Nicotiana tabacum[13].
  • 3-methylbutyrolactone's Human Metabolome Database ID is recorded as HMDB0035143[14].
  • 3-methylbutyrolactone's KNApSAcK ID is recorded as C00054041[15].
  • 3-methylbutyrolactone's mass is recorded as {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+100.052429496'}[16].
  • 3-methylbutyrolactone's SureChEMBL ID is recorded as 105334[17].
  • 3-methylbutyrolactone's DSSTox substance ID is recorded as DTXSID401030919[18].
  • 3-methylbutyrolactone's NMRShiftDB structure ID is recorded as 10018331[19].
  • 3-methylbutyrolactone's UniChem compound ID is recorded as 438027[20].

References

Programmatic citations — every numbered marker resolves to a verifiable graph row below.

Direct Wikidata claims

  1. [2] ↑ . wikidata.org.
  2. [3] ↑ . Chemical Abstracts Service. Retrieved . wikidata.org.
  3. [4] ↑ . wikidata.org.
  4. [5] ↑ . wikidata.org.
  5. [6] ↑ . wikidata.org.
  6. [7] ↑ . wikidata.org.
  7. [8] ↑ . wikidata.org.
  8. [9] ↑ . wikidata.org.
  9. [10] ↑ . PubChem. Retrieved . wikidata.org.
  10. [11] ↑ . ChEBI release 2022-06-13. wikidata.org.
  11. [12] ↑ . New volatile components of roasted coffee. wikidata.org.
  12. [13] ↑ . Comparison of different extraction methods: steam distillation, simultaneous distillation and extraction and headspace co-distillation, used for the analysis of the volatile components in aged flue-cured tobacco leaves. wikidata.org.
  13. [14] ↑ . wikidata.org.
  14. [15] ↑ . wikidata.org.
  15. [16] ↑ . wikidata.org.
  16. [17] ↑ . wikidata.org.
  17. [18] ↑ . wikidata.org.
  18. [19] ↑ . wikidata.org.
  19. [20] ↑ . UniChem. wikidata.org.

Class ancestry

  1. [1] ↑ . Wikidata. wikidata.org.

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BibTeX @misc{4ortxyz_3-methylbutyrolactone_2026, author = {{4ort.xyz Knowledge Graph}}, title = {{3-methylbutyrolactone}}, year = {2026}, url = {https://4ort.xyz/entity/3-methylbutyrolactone}, note = {Accessed: 2026-05-03}}
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