trans-2-Nonenal - CAS 18829-56-6
Catalog: |
BB014504 |
Product Name: |
trans-2-Nonenal |
CAS: |
18829-56-6 |
Synonyms: |
(E)-non-2-enal |
IUPAC Name: | (E)-non-2-enal |
Description: | trans-2-Nonenal (CAS# 18829-56-6) is an unsaturated aldehyde that is a product of fatty acid peroxidation (and also has a grassy, cucumber smell). trans-2-Nonenal is naturally found in mushrooms, coffee and is also a constituent of carrot root. It also exhibits insecticidal effects. |
Molecular Weight: | 140.22 |
Molecular Formula: | C9H16O |
Canonical SMILES: | CCCCCCC=CC=O |
InChI: | InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h7-9H,2-6H2,1H3/b8-7+ |
InChI Key: | BSAIUMLZVGUGKX-BQYQJAHWSA-N |
Boiling Point: | 202.61 °C (EPI 4.0) |
Flash Point: | 84.4°C |
Purity: | 97.0 % (sum of isomers) |
Density: | 0.834 g/cm3 |
Solubility: | Insoluble in water; soluble in alcohol |
Appearance: | White to slightly yellow liquid |
Storage: | Store tightly sealed under inert gas in a cool, well-ventilated area. |
MDL: | MFCD00007012 |
LogP: | 2.71190 |
Refractive Index: | 1.450 : 1.455 at 20 deg C |
GHS Hazard Statement: | H315 (99.93%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P280, P302+P352, P321, P332+P313, and P362 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
24590062 | 20140601 | Aldo-keto reductase 7A5 (AKR7A5) attenuates oxidative stress and reactive aldehyde toxicity in V79-4 cells | Toxicology in vitro : an international journal published in association with BIBRA |
22804575 | 20120808 | Differences in the volatile compositions of ginseng species (Panax sp.) | Journal of agricultural and food chemistry |
22711028 | 20120701 | Analysis and optimization of a synthetic milkweed floral attractant for mosquitoes | Journal of chemical ecology |
22757696 | 20120701 | Identification and quantification of aroma compounds of tartary buckwheat (Fagopyrum tataricum Gaertn.) and some of its milling fractions | Journal of food science |
22497266 | 20120502 | Identification of aroma-active compounds in Jiashi muskmelon juice by GC-O-MS and OAV calculation | Journal of agricultural and food chemistry |
Complexity: | 94.9 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 140.120115130 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 140.120115130 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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