| Record Information |
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| Version | 1.0 |
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| Creation date | 2015-10-09 22:30:50 UTC |
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| Update date | 2017-01-19 02:36:25 UTC |
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| FoodComEx ID | PC000470 |
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| FoodDB Record | FDB003392 |
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| Chemical Information |
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| Name | gamma-Butyrolactone |
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| 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. |
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| CAS Number | 96-48-0 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| 1-Oxacyclopentan-2-one | biospider | | 1-Oxacyclopentane-2-one | biospider | | 1,2-Butanolide | biospider | | 1,4-Butanolide | biospider | | 1,4-Butyrolactone | biospider | | 1,4-Lactone | biospider | | 2-Dihydrofuranone | biospider | | 2-Oxolanone | biospider | | 2-Oxotetrahydrofuran | db_source | | 2,3,4,5-Tetrahydro-2-furanone | biospider | | 2(3H)-dihydrofuranone | biospider | | 3-Hydroxybutyric acid lactone | biospider | | 4-Butanolide | biospider | | 4-Butyrolactone | biospider | | 4-Deoxytetronate | Generator | | 4-Deoxytetronic acid | biospider | | 4-Hydroxy-Butanoic acid g-lactone | biospider | | 4-Hydroxybutanoic acid lactone | biospider | | 4-Hydroxybutanoic acid, «gamma»-lactone | biospider | | 4-Hydroxybutyrate lactone | Generator | | 4-Hydroxybutyric acid lactone | db_source | | 4-Hydroxybutyric acid, «gamma»-lactone | biospider | | 4,5-Dihydro-2(3H)-furanone | biospider | | Butyric acid lactone | biospider | | Butyrolactone | biospider | | Butyryl lactone | biospider | | Butyrylactone | biospider | | Dihydro-2-furanone | biospider | | Dihydro-2(3H)-furanone | db_source | | Dihydrofuran-2(3H)-one | biospider | | Dihyro-2-furanone | biospider | | FEMA 3291 | db_source | | g-Butalactone | biospider | | g-Butanolactone | Generator | | g-Butyrolactone | db_source | | g-Butyryllactone | biospider | | g-Hydroxybutyrate lactone | Generator | | g-Hydroxybutyric acid lactone | biospider | | g-Hydroxybutyrolactone | Generator | | gamma-Butalactone | biospider | | gamma-Butanolactone | biospider | | gamma-Butyrolactone | biospider | | gamma-Butyryllactone | biospider | | gamma-Hydroxybutyrate lactone | Generator | | gamma-Hydroxybutyric acid cyclic ester | biospider | | gamma-Hydroxybutyric acid lactone | biospider | | gamma-Hydroxybutyrolactone | biospider | | gamma-Lactone 4-hydroxy-butanoic acid | biospider | | gamma-Lactone 4-hydroxy-butyric acid | biospider | | gamma-Lactone 4-hydroxybutanoic acid | biospider | | gamma-Lactone 4-hydroxybutyric acid | biospider | | GBL | HMDB | | Hydroxybutanoic acid lactone | biospider | | Paint clean g | HMDB | | Tetrahydro-2-furanone | biospider | | Tetrahydrofuran-2-one | ChEBI | | γ-butanolactone | Generator | | γ-butyrolactone | Generator | | γ-hydroxybutyrate lactone | Generator | | γ-hydroxybutyric acid lactone | Generator | | γ-hydroxybutyrolactone | Generator |
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| Chemical Formula | C4H6O2 |
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| IUPAC name | oxolan-2-one |
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| InChI Identifier | InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2 |
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| InChI Key | YEJRWHAVMIAJKC-UHFFFAOYSA-N |
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| Isomeric SMILES | O=C1CCCO1 |
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| Average Molecular Weight | 86.0892 |
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| Monoisotopic Molecular Weight | 86.036779436 |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as gamma butyrolactones. Gamma butyrolactones are compounds containing a gamma butyrolactone moiety, which consists of an aliphatic five-member ring with four carbon atoms, one oxygen atom, and bears a ketone group on the carbon adjacent to the oxygen atom. |
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| Kingdom | Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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| Class | Lactones |
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| Sub Class | Gamma butyrolactones |
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| Direct Parent | Gamma butyrolactones |
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| Alternative Parents | |
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| Substituents | - Gamma butyrolactone
- Tetrahydrofuran
- Carboxylic acid ester
- Oxacycle
- Monocarboxylic acid or derivatives
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Aliphatic heteromonocyclic compound
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| Molecular Framework | Aliphatic heteromonocyclic compounds |
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| External Descriptors | |
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| Physico-Chemical Properties - Experimental |
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| Property | Value | Reference |
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| Experimental logP | -0.64 | HANSCH,C ET AL. (1995) |
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| Experimental Water Solubility | 1000 mg/mL | WEAST,RC (1972) |
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| Melting Point | -45 | |
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| Foods of Origin |
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| Food | Content Range | Average | Reference |
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| Food | | | Reference |
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| Production Data |
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| Production Method | commercial |
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| Production Method Reference | Not Available |
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| Production Method Reference File | Not Available |
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| Quantity Available | Production upon request, up to 2 g |
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| Delivery Time | Not Available |
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| Storage Form | solid |
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| Storage Conditions | -80°C |
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| Stability | Not Available |
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| Purity | Not Available |
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| Spectra |
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| Spectral Data Upon Request | Not Available |
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| Provider Information |
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| Commercial Vendors |
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| Toronto Research Chemicals | B760995 |
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