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gamma-Butyrolactone

PubChem CID: 7302

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Compound Synonyms gamma-Butyrolactone, 96-48-0, BUTYROLACTONE, dihydrofuran-2(3H)-one, 4-Butyrolactone, 4-Butanolide, 1,4-Butanolide, 2-Oxolanone, 4-Hydroxybutyric acid lactone, 4-Deoxytetronic acid, Butyrylactone, 2(3H)-Furanone, dihydro-, Dihydro-2(3H)-furanone, 1,2-Butanolide, Butyryl lactone, Butyric acid lactone, oxolan-2-one, Tetrahydro-2-furanone, g-Butyrolactone, BLON, gamma-BL, 4-Hydroxybutanoic acid lactone, Dihydro-2-furanone, 1,4-Lactone, Agrisynth BLO, gamma-Hydroxybutyric acid lactone, gamma-Hydroxybutyrolactone, 2-Oxotetrahydrofuran, .gamma.-Butyrolactone, NCI-C55878, gamma-6480, GBL, FEMA No. 3291, 1-Oxacyclopentan-2-one, gamma Butyrolactone, NSC 4592, gamma-Butanolactone, gamma-Butyrolactone-13C4, gamma-Hydroxybutyric Acid cyclic ester, 1,4-Butyrolactone, .gamma.-BL, Butyric acid, 4-hydroxy-, gamma-lactone, .gamma.-6480, BLO, .gamma.-Hydroxybutyrolactone, OL659KIY4X, DTXSID6020224, CHEBI:42639, .gamma.-Hydroxybutyric acid lactone, Butyrolactone-d6, NSC-4592, 4-Hydroxybutyric acid, .gamma.-lactone, .gamma.-Hydroxybutyric acid cyclic ester, 4-Hydroxybutanoic acid, .gamma.-lactone, Gammabutyrolactone (GBL), gama-Butyrolactone, DTXCID80224, No Go, Caswell No. 132B, gamma-Butalactone, gamma-butyrolacton, Paint Clean G, CAS-96-48-0, 31213-03-3, gamma-Butyryllactone, gamma-Butyrolactone (natural), CCRIS 2924, gamma-Butyrolactone, GBL, Gammabutyrolactone, tetrahydrofuran-2-one, HSDB 4290, EINECS 202-509-5, UNII-OL659KIY4X, EPA Pesticide Chemical Code 122303, Revivarant, Remforce, 4 Hydroxybutyric Acid Lactone, Butanoic acid, 4-hydroxy-, gamma-lactone, g-Butalactone, 4-butanolactone, AI3-28121, g-Butyryllactone, GH Revitalizer, Blue Nitro, gammabutyrolactone, tetrahydrofuranone, 4-Deoxytetronate, C-1070, Dihyro-2-furanone, dihydrofuran-2-one, gamma-butyro-lactone, NIH 10540, dihydro-furan-2-one, .alpha.-Butyrolactone, .gamma.-Butanolactone, 2(3H)-dihydrofuranone, 1-Oxacyclopentane-2-one, WLN: T5OVTJ, BUTYROLACTONE [MI], EC 202-509-5, BUTYROLACTONE [VANDF], Dynasolve 699 (Salt/Mix), g-Hydroxybutyric acid lactone, CHEMBL95681, Dihydro-(3 H)-furan-2-one, Butyric acid, .gamma.-lactone, BUTYROLACTONE [WHO-DD], GTPL5462, Butanoic acid, .gamma.-lactone, 4,5-Dihydro-2(3H)-furanone, GAMMA-BUTYROLACTONE [FCC], NSC4592, 2,3,4,5-Tetrahydro-2-furanone, 4-hydroxy-Butanoic acid g-lactone, GAMMA-BUTYROLACTONE [HSDB], GAMMA-BUTYROLACTONE [IARC], CDA56865, Gamma-Lactone 4-hydroxybutyric acid, YIB48692, ZYB44194, .gamma.-Hydrooxybutyric acid lactone, gamma-Butyrolactone, >=99% (GC), Tox21_200490, Tox21_300188, Gamma-Lactone 4-hydroxy-butyric acid, Gamma-Lactone 4-hydroxybutanoic acid, LBG 11785, LMFA07040004, MFCD00005386, STL281877, .GAMMA.-BUTYROLACTONE [FHFI], AKOS000119924, Gamma-Lactone 4-hydroxy-butanoic acid, DB04699, FB03390, gamma-Butyrolactone, analytical standard, NCGC00247920-01, NCGC00247920-02, NCGC00253913-01, NCGC00258044-01, Butyric acid, 4-hydroxy-, .gamma.-lactone, B0767, Butanoic acid, 4-hydroxy-, .gamma.-lactone, NS00003450, gamma-Butyrolactone, ReagentPlus(R), >=99%, C01770, gamma-Butyrolactone, puriss., >=99.0% (GC), Q79739, gamma-Butyrolactone, SAJ first grade, >=99.5%, 4-Hydroxybutanoic acid lactone, >=98%, FCC, FG, GBL (gamma-Butyrolactone), 10mg/ml in Acetonitrile, GBL (gamma-Butyrolactone), 1mg/ml in Acetonitrile, GBL (gamma-Butyrolactone), 50mg/ml in Acetonitrile, gamma-Butyrolactone (GBL) 1.0 mg/ml in Acetonitrile, GBL (gamma-Butyrolactone), 100mg/ml in Acetonitrile, InChI=1/C4H6O2/c5-4-2-1-3-6-4/h1-3H, BUTANOIC ACID,4-HYDROXY,LACTONE GAMMA-BUTYROLACTONE, GBL, gamma-Hydroxybutyric acid lactone, 4-Hydroxybutyric acid lactone, BL
Ghose Rule False
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 26.3
Hydrogen Bond Donor Count 0.0
Pfizer 3 75 Rule False
Scaffold Graph Level CC1CCCC1
Np Classifier Class Lactones
Deep Smiles O=CCCCO5
Heavy Atom Count 6.0
Classyfire Class Lactones
Description Present in morello cherry, melon, pineapple, blackberry, quince, strawberry jam, wine, soybeans, black tea, Bourbon vanilla, wheat bread, crispbread and other breads. Flavour ingredient [DFC]. gamma-Butyrolactone is found in many foods, some of which are yellow bell pepper, pepper (c. annuum), red bell pepper, and pulses.
Scaffold Graph Node Level OC1CCCO1
Classyfire Subclass Gamma butyrolactones
Isotope Atom Count 0.0
Molecular Complexity 67.9
Database Name cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id P27169, n.a., Q03181
Iupac Name oxolan-2-one
Prediction Hob 1.0
Class Lactones
Veber Rule True
Classyfire Superclass Organoheterocyclic compounds
Xlogp -0.6
Superclass Organoheterocyclic compounds
Subclass Gamma butyrolactones
Gsk 4 400 Rule True
Molecular Formula C4H6O2
Scaffold Graph Node Bond Level O=C1CCCO1
Prediction Swissadme 0.0
Inchi Key YEJRWHAVMIAJKC-UHFFFAOYSA-N
Silicos It Class Soluble
Fcsp3 0.75
Logs -0.304
Rotatable Bond Count 0.0
State Liquid
Logd 0.476
Synonyms 1-Oxacyclopentan-2-one, 1-Oxacyclopentane-2-one, 1,2-Butanolide, 1,4-Butanolide, 1,4-Butyrolactone, 1,4-Lactone, 2-Dihydrofuranone, 2-Oxolanone, 2-Oxotetrahydrofuran, 2,3,4,5-Tetrahydro-2-furanone, 2(3H)-dihydrofuranone, 3-Hydroxybutyric acid lactone, 4-Butanolide, 4-Butyrolactone, 4-Deoxytetronate, 4-Deoxytetronic acid, 4-Hydroxy-Butanoic acid g-lactone, 4-Hydroxybutanoic acid lactone, 4-Hydroxybutanoic acid, &laquo, gamma&raquo, -lactone, 4-Hydroxybutyrate lactone, 4-Hydroxybutyric acid lactone, 4-Hydroxybutyric acid, &laquo, gamma&raquo, -lactone, 4,5-Dihydro-2(3H)-furanone, Butyric acid lactone, Butyrolactone, Butyryl lactone, Butyrylactone, Dihydro-2-furanone, Dihydro-2(3H)-furanone, Dihydrofuran-2(3H)-one, Dihyro-2-furanone, FEMA 3291, g-Butalactone, g-Butanolactone, g-Butyrolactone, g-Butyryllactone, g-Hydroxybutyrate lactone, g-Hydroxybutyric acid lactone, g-Hydroxybutyrolactone, gamma-Butalactone, gamma-Butanolactone, gamma-Butyrolactone, gamma-Butyryllactone, gamma-Hydroxybutyrate lactone, gamma-Hydroxybutyric acid cyclic ester, gamma-Hydroxybutyric acid lactone, gamma-Hydroxybutyrolactone, gamma-Lactone 4-hydroxy-butanoic acid, gamma-Lactone 4-hydroxy-butyric acid, gamma-Lactone 4-hydroxybutanoic acid, gamma-Lactone 4-hydroxybutyric acid, GBL, Hydroxybutanoic acid lactone, Paint clean g, Tetrahydro-2-furanone, Tetrahydrofuran-2-one, γ-butanolactone, γ-butyrolactone, γ-hydroxybutyrate lactone, γ-hydroxybutyric acid lactone, γ-hydroxybutyrolactone, Γ-butanolactone, Γ-hydroxybutyrate lactone, Γ-hydroxybutyric acid lactone, Γ-hydroxybutyrolactone, Γ-butyrolactone, 4-Hydroxy-butanoate, 4-Hydroxy-butanoic acid, 4-Hydroxy-butanoic acid g-lactone, 4-Hydroxybutanoate, 4-Hydroxybutanoic acid, 4 Butyrolactone, gamma Butyrolactone, Furanone, tetrahydro 2, 1,4 Butanolide, 4 Hydroxybutyric acid lactone, Lactone, 4-hydroxybutyric acid, butyrolactone, gamma, gamma-butyrolactone, γ-butyrolactone
Substituent Name Gamma butyrolactone, Oxolane, Carboxylic acid ester, Oxacycle, Ether, Carboxylic acid derivative, Hydrocarbon derivative, Organooxygen compound, Carbonyl group, Aliphatic heteromonocyclic compound
Esol Class Highly soluble
Functional Groups COC(C)=O
Compound Name gamma-Butyrolactone
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 86.0368
Formal Charge 0.0
Monoisotopic Mass 86.0368
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 86.09
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Molecular Framework Aliphatic heteromonocyclic compounds
Lipinski Rule Of 5 True
Esol 0.02944200000000008
Inchi InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2
Smiles C1CC(=O)OC1
Nring 1.0
Np Classifier Biosynthetic Pathway Fatty acids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Taxonomy Direct Parent Gamma butyrolactones
Np Classifier Superclass Fatty esters

  • 1. Outgoing r'ship FOUND_IN to/from Aconitum Gigas (Plant) Rel Props:Reference:
  • 2. Outgoing r'ship FOUND_IN to/from Aesculus Hippocastanum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1994.9698335
  • 3. Outgoing r'ship FOUND_IN to/from Alangium Chinense (Plant) Rel Props:Reference:
  • 4. Outgoing r'ship FOUND_IN to/from Allium Chinense (Plant) Rel Props:Reference:
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  • 11. Outgoing r'ship FOUND_IN to/from Angelica Decursiva (Plant) Rel Props:Reference:
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  • 15. Outgoing r'ship FOUND_IN to/from Angelica Glabra (Plant) Rel Props:Reference:
  • 16. Outgoing r'ship FOUND_IN to/from Angelica Glauca (Plant) Rel Props:Reference:
  • 17. Outgoing r'ship FOUND_IN to/from Angelica Hirsutiflora (Plant) Rel Props:Reference:
  • 18. Outgoing r'ship FOUND_IN to/from Angelica Japonica (Plant) Rel Props:Reference:
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  • 56. Outgoing r'ship FOUND_IN to/from Clinopodium Chinense (Plant) Rel Props:Reference:
  • 57. Outgoing r'ship FOUND_IN to/from Coffea Arabica (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.3517
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  • 61. Outgoing r'ship FOUND_IN to/from Cordyceps Sinensis (Plant) Rel Props:Reference:
  • 62. Outgoing r'ship FOUND_IN to/from Cryptolepis Sinensis (Plant) Rel Props:Reference:
  • 63. Outgoing r'ship FOUND_IN to/from Cynanchum Chinense (Plant) Rel Props:Reference:
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  • 66. Outgoing r'ship FOUND_IN to/from Durio Zibethinus (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730100205
  • 67. Outgoing r'ship FOUND_IN to/from Entada Gigas (Plant) Rel Props:Reference:
  • 68. Outgoing r'ship FOUND_IN to/from Eriosema Chinense (Plant) Rel Props:Reference:
  • 69. Outgoing r'ship FOUND_IN to/from Eupatorium Chinense (Plant) Rel Props:Reference:
  • 70. Outgoing r'ship FOUND_IN to/from Garcinia Dulcis (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1187
  • 71. Outgoing r'ship FOUND_IN to/from Ginseng (Plant) Rel Props:Reference:
  • 72. Outgoing r'ship FOUND_IN to/from Gleditsia Sinensis (Plant) Rel Props:Reference:
  • 73. Outgoing r'ship FOUND_IN to/from Glycyrrhiza Glabra (Plant) Rel Props:Reference:ISBN:9780896038776
  • 74. Outgoing r'ship FOUND_IN to/from Hypericum Chinense (Plant) Rel Props:Reference:
  • 75. Outgoing r'ship FOUND_IN to/from Incarvillea Sinensis (Plant) Rel Props:Reference:
  • 76. Outgoing r'ship FOUND_IN to/from Juglans Sinensis (Plant) Rel Props:Reference:
  • 77. Outgoing r'ship FOUND_IN to/from Loropetalum Chinense (Plant) Rel Props:Reference:
  • 78. Outgoing r'ship FOUND_IN to/from Lycium Barbarum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 79. Outgoing r'ship FOUND_IN to/from Lycium Cestroides (Plant) Rel Props:Reference:
  • 80. Outgoing r'ship FOUND_IN to/from Lycium Chinense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 81. Outgoing r'ship FOUND_IN to/from Lycium Europaeum (Plant) Rel Props:Reference:
  • 82. Outgoing r'ship FOUND_IN to/from Lycium Ruthenicum (Plant) Rel Props:Reference:
  • 83. Outgoing r'ship FOUND_IN to/from Lycopodium Chinense (Plant) Rel Props:Reference:
  • 84. Outgoing r'ship FOUND_IN to/from Macaranga Sinensis (Plant) Rel Props:Reference:
  • 85. Outgoing r'ship FOUND_IN to/from Mangifera Indica (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1812
  • 86. Outgoing r'ship FOUND_IN to/from Miliusa Sinensis (Plant) Rel Props:Reference:
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  • 88. Outgoing r'ship FOUND_IN to/from Muntingia Calabura (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1996.9700655
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  • 91. Outgoing r'ship FOUND_IN to/from Paederia Foetida (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730090106
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  • 93. Outgoing r'ship FOUND_IN to/from Panax Innovans (Plant) Rel Props:Reference:
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  • 96. Outgoing r'ship FOUND_IN to/from Panax Papyrifer (Plant) Rel Props:Reference:
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  • 99. Outgoing r'ship FOUND_IN to/from Panax Quinquefolius (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 100. Outgoing r'ship FOUND_IN to/from Panax Schinseng (Plant) Rel Props:Reference:
  • 101. Outgoing r'ship FOUND_IN to/from Panax Sikkimensis (Plant) Rel Props:Reference:
  • 102. Outgoing r'ship FOUND_IN to/from Panax Spinosus (Plant) Rel Props:Reference:
  • 103. Outgoing r'ship FOUND_IN to/from Panax Stipuleanatus (Plant) Rel Props:Reference:
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  • 105. Outgoing r'ship FOUND_IN to/from Pistacia Vera (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2016.1216899
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  • 118. Outgoing r'ship FOUND_IN to/from Thesium Chinense (Plant) Rel Props:Reference:
  • 119. Outgoing r'ship FOUND_IN to/from Tinospora Sinensis (Plant) Rel Props:Reference:
  • 120. Outgoing r'ship FOUND_IN to/from Toona Sinensis (Plant) Rel Props:Reference:
  • 121. Outgoing r'ship FOUND_IN to/from Uncaria Sinensis (Plant) Rel Props:Reference:
  • 122. Outgoing r'ship FOUND_IN to/from Vaccinium Myrtillus (Plant) Rel Props:Source_db:fooddb_chem_all
  • 123. Outgoing r'ship FOUND_IN to/from Verbascum Chinense (Plant) Rel Props:Reference:
  • 124. Outgoing r'ship FOUND_IN to/from Vernonia Chinense (Plant) Rel Props:Reference:
  • 125. Outgoing r'ship FOUND_IN to/from Vitis Adnata (Plant) Rel Props:Reference:
  • 126. Outgoing r'ship FOUND_IN to/from Vitis Amurensis (Plant) Rel Props:Reference:
  • 127. Outgoing r'ship FOUND_IN to/from Vitis Araneosus (Plant) Rel Props:Reference:
  • 128. Outgoing r'ship FOUND_IN to/from Vitis Betulifolia (Plant) Rel Props:Reference:
  • 129. Outgoing r'ship FOUND_IN to/from Vitis Bifurcate (Plant) Rel Props:Reference:
  • 130. Outgoing r'ship FOUND_IN to/from Vitis Carnosa (Plant) Rel Props:Reference:
  • 131. Outgoing r'ship FOUND_IN to/from Vitis Coignetiae (Plant) Rel Props:Reference:
  • 132. Outgoing r'ship FOUND_IN to/from Vitis Heyneana (Plant) Rel Props:Reference:
  • 133. Outgoing r'ship FOUND_IN to/from Vitis Indica (Plant) Rel Props:Reference:
  • 134. Outgoing r'ship FOUND_IN to/from Vitis Labrusca (Plant) Rel Props:Reference:
  • 135. Outgoing r'ship FOUND_IN to/from Vitis Lanata (Plant) Rel Props:Reference:
  • 136. Outgoing r'ship FOUND_IN to/from Vitis Latifolia (Plant) Rel Props:Reference:
  • 137. Outgoing r'ship FOUND_IN to/from Vitis Pallida (Plant) Rel Props:Reference:
  • 138. Outgoing r'ship FOUND_IN to/from Vitis Pedata (Plant) Rel Props:Reference:
  • 139. Outgoing r'ship FOUND_IN to/from Vitis Planicaulis (Plant) Rel Props:Reference:
  • 140. Outgoing r'ship FOUND_IN to/from Vitis Quadrangularis (Plant) Rel Props:Reference:
  • 141. Outgoing r'ship FOUND_IN to/from Vitis Repens (Plant) Rel Props:Reference:
  • 142. Outgoing r'ship FOUND_IN to/from Vitis Rugosa (Plant) Rel Props:Reference:
  • 143. Outgoing r'ship FOUND_IN to/from Vitis Setosa (Plant) Rel Props:Reference:
  • 144. Outgoing r'ship FOUND_IN to/from Vitis Silvestris (Plant) Rel Props:Reference:
  • 145. Outgoing r'ship FOUND_IN to/from Vitis Tomentosa (Plant) Rel Props:Reference:
  • 146. Outgoing r'ship FOUND_IN to/from Vitis Trifolia (Plant) Rel Props:Reference:
  • 147. Outgoing r'ship FOUND_IN to/from Vitis Vinifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 148. Outgoing r'ship FOUND_IN to/from Vitis Vulpina (Plant) Rel Props:Reference:
  • 149. Outgoing r'ship FOUND_IN to/from Wisteria Sinensis (Plant) Rel Props:Reference:
  • 150. Outgoing r'ship FOUND_IN to/from Ziziphus Jujuba (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1996.9700625
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