trans-2-Octenoic acid - CAS 1871-67-6
Catalog: |
BB014401 |
Product Name: |
trans-2-Octenoic acid |
CAS: |
1871-67-6 |
Synonyms: |
2-Octenoic acid, (2E)-; (2E)-2-Octenoic acid; 2-Octenoic acid, (E)-; (2E)-Oct-2-enoic acid; (E)-2-Octenoic acid |
Related CAS: | 1470-50-4 (rac-isomer) 1577-96-4 (Z-isomer)
|
IUPAC Name: | (E)-oct-2-enoic acid |
Molecular Weight: | 142.20 |
Molecular Formula: | C8H14O2 |
Canonical SMILES: | CCCCCC=CC(=O)O |
InChI: | InChI=1S/C8H14O2/c1-2-3-4-5-6-7-8(9)10/h6-7H,2-5H2,1H3,(H,9,10)/b7-6+ |
InChI Key: | CWMPPVPFLSZGCY-VOTSOKGWSA-N |
Boiling Point: | 95-100°C at 0.4 Torr |
Melting Point: | 2°C |
Purity: | ≥95% |
Density: | 0.934 g/cm3 |
Solubility: | Soluble in Chloroform (Slightly), Ethyl Acetate (Slightly) |
Appearance: | Colorless to Light Yellow to Light Orange Clear Liquid |
MDL: | MFCD00002706 |
LogP: | 2.20750 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
21495642 | 20110520 | Conjugate addition of lithium N-phenyl-N-(α-methylbenzyl)amide: application to the asymmetric synthesis of (R)-(-)-angustureine | Organic letters |
19537826 | 20090801 | Mass spectrometric characterization of protein modification by the products of nonenzymatic oxidation of linoleic acid | Chemical research in toxicology |
17605059 | 20070901 | Degradation of low rank coal by Trichoderma atroviride ES11 | Journal of industrial microbiology & biotechnology |
17200891 | 20070201 | The male abdominal glands of Leucophaea maderae: chemical identification of the volatile secretion and sex pheromone function | Journal of chemical ecology |
16791646 | 20060701 | Structure and membrane affinity of new amphiphilic siderophores produced by Ochrobactrum sp. SP18 | Journal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry |
Complexity: | 116 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 142.099379685 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 142.099379685 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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