| SpectraBase Compound ID | KiBYQ4bZs2h |
|---|---|
| InChI | InChI=1S/C6H8O2/c1-2-3-4-5-6(7)8/h2-5H,1H3,(H,7,8)/b3-2+,5-4+ |
| InChIKey | WSWCOQWTEOXDQX-MQQKCMAXSA-N |
| Mol Weight | 112.13 g/mol |
| Molecular Formula | C6H8O2 |
| Exact Mass | 112.052429 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3bpTcQgiesH |
|---|---|
| Name | 2,4-Hexadienoic acid, (E,E)- |
| CAS Registry Number | 110-44-1 |
| Classification | Medium-chain fatty acids |
| Comments | Generally Recognized as Safe; NTIS Accession Number: PB262663 |
| Copyright | Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass | 112.052429496 u |
| Formula | C6H8O2 |
| InChI | InChI=1S/C6H8O2/c1-2-3-4-5-6(7)8/h2-5H,1H3,(H,7,8)/b3-2+,5-4+ |
| InChIKey | WSWCOQWTEOXDQX-MQQKCMAXSA-N |
| Molecular Weight | 112.128 g/mol |
| Number of Peaks | 60 |
| SMILES | OC(\C=C\C=C\C)=O |
| SPLASH | splash10-02tm-9100000000-d10af9be5ebd7cc64c6c |
| Source of Spectrum | A-2-79-1 |
| Synonyms | (2E,4E)-2,4-Hexadienoic acid (2-Butenylidene)acetic acid (2E,4E)-hexa-2,4-dienoic acid (E,E)-2,4-hexadienoic acid (E,E)-Sorbic acid .alpha.-trans-.gamma.-trans-Sorbic acid 1,3-Pentadiene-1-carboxylic acid 1,3-Pentadiene-1-carboxylic acid, (E,E)- 2,4-Hexadienoic acid 2,4-Hexadienoic acid, (2E,4E)- 2-Propenylacrylic acid 2E,4E-Hexadienoic acid Acetic acid, (2-butenylidene)- Acetic acid, crotylidene- Crotylidene acetic acid Hexa-2,4-dienoic acid Hexadienoic acid Hexadienoic acid, (E,E) Kyselina 1,3-pentadien-1-karboxylova Kyselina sorbova Panosorb Preservastat Sorbic Acid Sorbic acid, (E,E)- Sorbistat E 200 AI3-14851 CASWELL NO. 801 CCRIS 5748 EINECS 203-768-7 EPA PESTICIDE CHEMICAL CODE 075901 HSDB 590 |
| Wiley ID | 1123081 |