HuagongsheHuagongshe Chemistry Print Report · For research reference only
2,4-Dodecadienal, (2E,4E)-
2,4-DODECADIENAL · 2,4-Dodecadienal, (E,E)- · FEMA 3670 · TRANS,TRANS-2,4-DODECADIENAL · 2,4-DODECADIEN-1-AL · (e,e)-4-dodecadienal · 4-Dodecadienal,(E,E)-2 · (E,E)-2,4-Dodecadienal
Identifiers & Physical Properties
| CAS No. | 21662-16-8 |
|---|---|
| Molecular formula | C12H20O |
| Average molar mass | 180.29 g/mol |
| Monoisotopic mass | 180.15141526 g/mol |
| SMILES | CCCCCCC/C=C/C=C/C=O |
| InChIKey | QKTZBZWNADPFOL-BNFZFUHLSA-N |
| PubChem CID | 5367530 |
| ChEBI | CHEBI:171898 |
| EC No. | 244-517-1 |
| DTXSID | DTXSID80885175 |
Chemical & Physical Properties
| XLogP | 4.3 |
|---|---|
| Topological polar surface area | 17.1 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 8 |
| Heavy atoms | 13 |
| Formal charge | 0 |
| Complexity | 157 |
| Food additives | FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Density | 0.983-0.9890.865 g/mL at 20 °C(lit.) |
| Flavoring agents | EU Flavoring substances |
| Solubility | Slightly soluble in watermiscible in oilssoluble (in ethanol) |
| Boiling point | 130.00 °C. @ 6.00 mm Hg130 °C (6 mm Hg)130°C 6mm |
| Refractive index | 1.470-1.476n20/D 1.510 |
| Physical Description | Oily liquidlight, faint spicy aroma |
| FEMA | 3670 | TRANS,TRANS-2,4-DODECADIENAL |
| FLAVIS Number | 05.125 | Dodeca-(2E,4E)-dienal |
| Flash point | 104°C |
| Physical state | solid |
| Odor | at 100.00 %. grapefruit orange fatty citrus |
| Odor type | fatty |
| Biological source | botanical |
| JECFA Number | 1196 |
| BRN | 1708096 |
| InChI | 1S/C12H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h8-12H,2-7H2,1H3/b9-8+,11-10+ |
| InChIKey | QKTZBZWNADPFOL-BNFZFUHLSA-N |
| SMILES | CCCCCCC\C=C\C=C\C=O |
| LogP (partition coefficient) | 4.25 |
| CAS DataBase Reference | 21662-16-8(CAS DataBase Reference) |
| Substances Added to Food (formerly EAFUS) | TRANS,TRANS-2,4-DODECADIENAL |
| FDA UNII | VO340RJ9LU |
| NIST Chemistry Reference | 2,4-Dodecadienal, (e,e)-(21662-16-8) |
| EPA Substance Registry System | 2,4-Dodecadienal, (2E,4E)- (21662-16-8) |
| UNSPSC Code | 12352100 |
| NACRES | NA.21 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P264-P280a-P321-P332+P313-P337+P313-P261-P305+P351+P338 |
| Target organs | Respiratory system |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
| Hazard symbols | Xi |
| Risk statements (R) | 36/37/38 |
| Safety statements (S) | 26-36 |
| Water hazard class (WGK) | 3 |
| F | 10-23 |
| TSCA inventory status | TSCA listed |
| Storage class | 11 - Combustible Solids |
| Hazard class | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Safety & Regulations
| GHS classification | This chemical does not meet GHS hazard criteria for 7.8% (113 of 1443) of reports.WarningH315 (92.2%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P280, P302+P352, P321, P332+P317, and P362+P364 (click each P-code to see the statement)Aggregated GHS information provided per 1443 reports by companies from 6 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatory information | Chemical: 2,4-Dodecadienal, (E,E)-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)2,4-Dodecadienal, (2E,4E)-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Irrit. 2 (92.2%) |
| F | 10-23 |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
| Water hazard class (WGK) | 3 |
| TSCA inventory status | TSCA listed |
| Risk statements (R) | 36/37/38 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi |
| Safety statements (S) | 26-36 |
| Storage class | 11 - Combustible Solids |
| Target organs | Respiratory system |
| GHS hazard statements | H315-H319-H335 |
| Hazard class | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| GHS precautionary statements | P264-P280a-P321-P332+P313-P337+P313-P261-P305+P351+P338 |
Applications & Uses
Occurrence
Reported found in “country-cured” ham, oxidized milk and potato chips.
Uses
flavors and fragrances