cis,trans-Sorbic Acid - CAS 5309-57-9
Catalog: |
BB057772 |
Product Name: |
cis,trans-Sorbic Acid |
CAS: |
5309-57-9 |
Synonyms: |
(2Z,4E)-2,4-Hexadienoic acid; 2-cis,4-trans-Hexadienoic acid |
Related CAS: | 5309-56-8
|
IUPAC Name: | (2Z,4E)-hexa-2,4-dienoic acid |
Description: | cis,trans-Sorbic acid has been used in the study of photosensitization of carbon nanotubes and the production of reactive oxygen species by using the sorbic acid as a catalyst in the reaction process. |
Molecular Weight: | 112.13 |
Molecular Formula: | C6H8O2 |
Canonical SMILES: | CC=CC=CC(=O)O |
InChI: | InChI=1S/C6H8O2/c1-2-3-4-5-6(7)8/h2-5H,1H3,(H,7,8)/b3-2+,5-4- |
InChI Key: | WSWCOQWTEOXDQX-IAROGAJJSA-N |
Melting Point: | 35 - 38°C |
Solubility: | Chloroform (Slightly), Methanol (Slightly) |
Appearance: | Pale Brown to Light Brown Low-Melting Solid |
Storage: | 4°C, Inert atmosphere, Light sensitive |
References: | Chen, C.Y., et al. Environ. Sci. Technol., 49, 13835-43 (2015). |
GHS Hazard Statement: | H315 (87.75%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
BR-112013010271-B1 | Method for the production of Sorbic Anhydride | 20101029 |
EP-2632884-B1 | Method for producing sorbic anhydride | 20101029 |
JP-2014503476-A | Method for producing sorbic anhydride and its use as a food preservative | 20101029 |
JP-5907978-B2 | Method for producing sorbic anhydride and its use as a food preservative | 20101029 |
US-2014087039-A1 | Method for producing sorbic anhydride and also use thereof as a preservative in foods | 20101029 |
US-9102613-B2 | Method for producing sorbic anhydride and also use thereof as a preservative in foods | 20101029 |
WO-2011127933-A1 | Bi-functional complexes and methods for making and using such complexes | 20100416 |
Complexity: | 123 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 2 |
Exact Mass: | 112.052429494 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 112.052429494 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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