2,4-Heptadienal - CAS 4313-03-5
Catalog: |
BB025331 |
Product Name: |
2,4-Heptadienal |
CAS: |
4313-03-5 |
Synonyms: |
(2E,4E)-hepta-2,4-dienal |
IUPAC Name: | (2E,4E)-hepta-2,4-dienal |
Description: | 2,4-Heptadienal (CAS# 4313-03-5) is an unsaturated aldehyde that has a fishy odour. trans,trans-2,4-Heptanedienal is a volatile component naturally found in drinking water and fish oils. |
Molecular Weight: | 110.15 |
Molecular Formula: | C7H10O |
Canonical SMILES: | CCC=CC=CC=O |
InChI: | InChI=1S/C7H10O/c1-2-3-4-5-6-7-8/h3-7H,2H2,1H3/b4-3+,6-5+ |
InChI Key: | SATICYYAWWYRAM-VNKDHWASSA-N |
Boiling Point: | 167.83 °C (EPI 4.0) |
Flash Point: | 65°C |
Purity: | 97.0 % (sum of isomers) |
Density: | 0.883 g/cm3 |
Solubility: | Insoluble in water; soluble in alcohol. |
Appearance: | Yellow liquid |
Storage: | Store tightly sealed under inert gas in a cool, well-ventilated area. |
MDL: | MFCD00007005 |
LogP: | 1.70770 |
Refractive Index: | 1.531 : 1.537 at 20 deg C |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113073007-A | Feicheng Hongli essence | 20210426 |
CN-113088392-A | Feicheng Baili essence | 20210426 |
CN-113088393-A | Fenghua jade dew essence | 20210426 |
CN-113088394-A | Zhongzhou honey peach essence | 20210426 |
CN-113249171-A | White flower honey essence | 20210426 |
PMID | Publication Date | Title | Journal |
22796869 | 20120901 | In depth study of acrylamide formation in coffee during roasting: role of sucrose decomposition and lipid oxidation | Food & function |
22860577 | 20120801 | Iron-lactoferrin complex reduces iron-catalyzed off-flavor formation in powdered milk with added fish oil | Journal of food science |
22908585 | 20120701 | Essential oil composition of Prasium majus from Croatia | Natural product communications |
22591324 | 20120601 | Gas chromatographic-olfactometric aroma profile and quantitative analysis of volatile carbonyls of grilled beef from different finishing feed systems | Journal of food science |
21983426 | 20120201 | The volatile compounds in lamb fat are affected by the time of grazing | Meat science |
Complexity: | 101 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 2 |
Exact Mass: | 110.073164938 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 110.073164938 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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