trans-Crotonic acid - CAS 107-93-7
Catalog: |
BB002149 |
Product Name: |
trans-Crotonic acid |
CAS: |
107-93-7 |
Synonyms: |
2-Butenoic acid, (2E)-; (2E)-2-Butenoic acid; 2-Butenoic acid, (E)-; Crotonic acid, (E)-; (E)-2-Butenoic acid; (E)-Crotonic acid; NSC 8751; trans-2-Butenoic acid |
Application: |
Crotonic Acid is found in water extracts from carrot seeds (Daucus carota L.) and is shown to have strong herbicidal properties. |
IUPAC Name: | (E)-but-2-enoic acid |
Description: | Crotonic acid can induce histone modifications in chemically induced pluripotent stem cells (CiPSCs). |
Molecular Weight: | 86.09 |
Molecular Formula: | C4H6O2 |
Canonical SMILES: | CC=CC(=O)O |
InChI: | InChI=1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)/b3-2+ |
InChI Key: | LDHQCZJRKDOVOX-NSCUHMNNSA-N |
Boiling Point: | 184.7°C |
Melting Point: | 72°C |
Flash Point: | 190 °F |
Purity: | ≥95% |
Density: | 1.039±0.06 g/cm3 |
Solubility: | Soluble in Chloroform (Slightly), Methanol (Slightly) |
Appearance: | White to Off-white Solid |
Storage: | Store at 2-8°C |
Decomposition: | Thermal decomposition products include carbon dioxide and carbon monoxide. /organic acids and related compounds/ |
MDL: | MFCD00002701 |
LogP: | 0.64710 |
Vapor Pressure: | 24 Pa at 20 °C |
GHS Hazard Statement: | H302 (95.51%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P260, P264, P270, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
KR-20210122563-A | Purification method of quantum dot | 20200401 |
KR-20210122564-A | Purification method of quantum dot | 20200401 |
WO-2021194326-A1 | Aminopyrimidine derivatives and their use as aryl hydrocarbon receptor modulators | 20200327 |
WO-2021188769-A1 | Tetralin and tetrahydroquinoline compounds as inhibitors of hif-2alpha | 20200319 |
WO-2021141945-A1 | Rohs compliant mixed quantum dot films | 20200106 |
PMID | Publication Date | Title | Journal |
22209322 | 20120415 | Effective removal of heavy metal ions Cd2+, Zn2+, Pb2+, Cu2+ from aqueous solution by polymer-modified magnetic nanoparticles | Journal of hazardous materials |
22099517 | 20120101 | Generation of poly-β-hydroxybutyrate from externally provided acetate in rice root | Plant physiology and biochemistry : PPB |
21889175 | 20111201 | Identification of lignans and related compounds in Anthriscus sylvestris by LC-ESI-MS/MS and LC-SPE-NMR | Phytochemistry |
21958315 | 20111109 | Synthesis and herbicidal activity of diphenyl ether derivatives containing unsaturated carboxylates | Journal of agricultural and food chemistry |
22219845 | 20111101 | (R)-N-(Ferrocenylmeth-yl)-1-hy-droxy-3-phenyl-propan-2-aminium (E)-but-2-enoate | Acta crystallographica. Section E, Structure reports online |
Complexity: | 73.6 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 86.03677943 |
Formal Charge: | 0 |
Heavy Atom Count: | 6 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 86.03677943 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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