| Record Information |
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| Version | 1.0 |
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| Creation date | 2015-10-09 22:30:56 UTC |
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| Update date | 2017-01-19 02:36:25 UTC |
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| FoodComEx ID | PC000493 |
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| FoodDB Record | FDB008077 |
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| Chemical Information |
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| Name | 5-Methyl-delta-valerolactone |
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| Description | Isolated from coconut oil (Cocos nucifera), heated milk fat, butter, chicken fat and yoghurtand is also in various fruits e.g. papaya, pineapple, raspberry, strawberry and plums [DFC]. 5-Methyl-delta-valerolactone is found in milk and milk products, animal foods, and fruits. |
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| CAS Number | 823-22-3 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| (RS)-delta-Hexalactone | biospider | | 5-Caprolactone | db_source | | 5-Hexanolactone | db_source | | 5-Hexanolide | db_source | | 5-hydroxy-Hexanoic acid lactone | biospider | | 5-Hydroxyhexanoic acid lactone | db_source | | 5-Methyl-d-valerolactone | db_source | | 5-Methyl-delta-valerolactone | manual | | 6-Methyl-d-valerolactone | biospider | | 6-Methyltetrahydro-2H-pyran-2-one | biospider | | 6-Methylvalerolactone | biospider | | d-Hexalactone | db_source | | delta-Caprolactone | biospider | | delta-Hexalactone | biospider | | delta-Hexanolactone | biospider | | delta-Hexanolide | biospider | | delta-Methyl-delta-valerolactone | biospider | | Dihydrosorbinol | db_source | | FEMA 3167 | db_source | | Hexanolactone | biospider | | Tetrahydro-6-methyl-2H-pyran-2-one | HMDB |
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| Chemical Formula | C6H10O2 |
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| IUPAC name | 6-methyloxan-2-one |
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| InChI Identifier | InChI=1S/C6H10O2/c1-5-3-2-4-6(7)8-5/h5H,2-4H2,1H3 |
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| InChI Key | RZTOWFMDBDPERY-UHFFFAOYSA-N |
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| Isomeric SMILES | CC1CCCC(=O)O1 |
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| Average Molecular Weight | 114.1424 |
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| Monoisotopic Molecular Weight | 114.068079564 |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as delta valerolactones. These are cyclic organic compounds containing an oxan-2- one moiety. |
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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 | Delta valerolactones |
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| Direct Parent | Delta valerolactones |
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| Alternative Parents | |
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| Substituents | - Delta_valerolactone
- Delta valerolactone
- Oxane
- 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 | Not Available |
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| Physico-Chemical Properties - Experimental |
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| Property | Value | Reference |
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| Experimental logP | Not Available | |
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| Experimental Water Solubility | Not Available | |
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| Melting Point | Not Available | |
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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 200 mg |
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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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| AKSci | 7573AL |
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| Toronto Research Chemicals | H294195 |
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