| Record Information |
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| Version | 1.0 |
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| Creation date | 2015-10-09 22:29:22 UTC |
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| Update date | 2017-01-19 02:36:17 UTC |
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| FoodComEx ID | PC000234 |
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| FoodDB Record | FDB003049 |
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| Chemical Information |
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| Name | Hexadecanedioic acid |
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| Description | Hexadecanedioic acid, also known as 1,16-hexadecanedioate or thapsic acid, belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. Hexadecanedioic acid is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. |
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| CAS Number | 505-54-4 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| 1, 14-Tetradecanedicarboxylic acid | biospider | | 1,14-Tetradecanedicarboxylate | biospider | | 1,14-Tetradecanedicarboxylic acid | biospider | | 1,16-Hexadecanedioate | biospider | | 1,16-Hexadecanedioic acid | biospider | | A,w-tetradecanedicarboxylate | biospider | | A,w-tetradecanedicarboxylic acid | biospider | | Hexadecane-1, 16-dioic acid | biospider | | Hexadecane-1,16-dioic acid | biospider | | Hexadecanedioate | biospider | | Hexadecanedioic | biospider | | N-tetradecane-.omega.,.omega.'-dicarboxylic acid | biospider | | N-tetradecane-omega,omega'-dicarboxylic acid | biospider | | N-tetradecane-w,w'-dicarboxylate | biospider | | N-tetradecane-w,w'-dicarboxylic acid | biospider | | Thapsate | biospider | | Thapsic acid | db_source |
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| Chemical Formula | C16H30O4 |
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| IUPAC name | hexadecanedioic acid |
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| InChI Identifier | InChI=1S/C16H30O4/c17-15(18)13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(19)20/h1-14H2,(H,17,18)(H,19,20) |
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| InChI Key | QQHJDPROMQRDLA-UHFFFAOYSA-N |
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| Isomeric SMILES | OC(=O)CCCCCCCCCCCCCCC(O)=O |
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| Average Molecular Weight | 286.407 |
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| Monoisotopic Molecular Weight | 286.214409448 |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. |
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| Kingdom | Organic compounds |
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| Super Class | Lipids and lipid-like molecules |
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| Class | Fatty Acyls |
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| Sub Class | Fatty acids and conjugates |
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| Direct Parent | Long-chain fatty acids |
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| Alternative Parents | |
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| Substituents | - Long-chain fatty acid
- Dicarboxylic acid or derivatives
- Carboxylic acid
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Aliphatic acyclic compound
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| Molecular Framework | Aliphatic acyclic 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 | Not Available | |
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| Experimental Water Solubility | Not Available | |
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| Melting Point | Mp 126° | DFC |
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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 500 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 | C495 |
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| AKSci | J90421 |
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| Fluka | HMDB0000672 |
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| MetaSci | HMDB0000672 |
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