HuagongsheHuagongshe Chemistry Print Report · For research reference only
2,4-Undecadienal
FEMA 3422 · 2,4-UNDECADIEN-1-AL · 2,4-Undecadienal, (E,E)- · 2-PENTANOL 98+% · Einecs 250-148-7 · Undecadienalpract · (E,E)-2,4-Undecanal · (e,e)-4-undecadienal
Identifiers & Physical Properties
| CAS No. | 13162-46-4 |
|---|---|
| Molecular formula | C11H18O |
| Average molar mass | 166.26 g/mol |
| Monoisotopic mass | 166.13576519 g/mol |
| SMILES | CCCCCC/C=C/C=C/C=O |
| InChIKey | UVIUIIFPIWRILL-XBLVEGMJSA-N |
| PubChem CID | 5367531 |
| ChEBI | CHEBI:169399 |
| EC No. | 250-148-7 |
| DTXSID | DTXSID60885476 |
Chemical & Physical Properties
| XLogP | 3.8 |
|---|---|
| Topological polar surface area | 17.1 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 7 |
| Heavy atoms | 12 |
| Formal charge | 0 |
| Complexity | 145 |
| Food additives | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Density | 0.896-0.9060.869 g/mL at 25 °C(lit.) |
| Flavoring agents | EU Flavoring substances |
| Solubility | Soluble in oilsInsoluble in watersoluble (in ethanol)DMSO, Methanol |
| Boiling point | 129.00 °C. @ 13.00 mm Hg129 °C (13 mm Hg)128-129°C 10mm |
| Refractive index | 1.500-1.505n20/D 1.514(lit.) |
| Physical Description | colourless oily liquidvery powerful oily-caramellic, "baked spicy" aroma with citrusy undertones |
| Melting point | 170-172°C |
| FEMA | 3422 | 2,4-UNDECADIENAL |
| FLAVIS Number | 05.196 | (2E, 4E)-undeca-2,4-dienal |
| Flash point | >230 °F |
| Storage conditions | Hygroscopic, -20°C Freezer, Under Inert Atmosphere |
| Physical state | Solid |
| Color | White to Off-White |
| Odor | at 1.00 % in dipropylene glycol. oily caramellic spicy citrus buttery baked |
| Odor type | green |
| Biological source | synthetic |
| Sensitivity | Air Sensitive |
| BRN | 1706330 |
| Major applications | flavors and fragrances |
| Cosmetics Ingredients Functions | PERFUMING |
| InChI | 1S/C11H18O/c1-2-3-4-5-6-7-8-9-10-11-12/h7-11H,2-6H2,1H3/b8-7+,10-9+ |
| InChIKey | UVIUIIFPIWRILL-XBLVEGMJSA-N |
| SMILES | [H]C(=O)\C([H])=C([H])\C([H])=C(/[H])CCCCCC |
| LogP (partition coefficient) | 3.71 |
| CAS DataBase Reference | 30361-29-6(CAS DataBase Reference) |
| FDA UNII | 7L26S7BW06 |
| NIST Chemistry Reference | 2,4-Undecadienal, (e,e)-(30361-29-6) |
| EPA Substance Registry System | 2,4-Undecadienal, (2E,4E)- (30361-29-6) |
| UNSPSC Code | 12164502 |
| NACRES | NA.21 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P305+P351+P338 |
| Personal protective equipment (PPE) | Eyeshields, Gloves |
| Safety statements (S) | 24/25 |
| Water hazard class (WGK) | 3 |
| TSCA inventory status | TSCA listed |
| Customs code | 29121900 |
| Storage class | 10 - Combustible liquids |
Safety & Regulations
| GHS classification | This chemical does not meet GHS hazard criteria for 5.6% (79 of 1403) of reports.WarningH315 (94.4%): 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 1403 reports by companies from 3 notifications to the ECHA C&L Inventory.This chemical does not meet GHS hazard criteria for 100% (89 of 89) of all reports. |
|---|---|
| Regulatory information | Chemical: 2,4-UndecadienalChemical: 2,4-Undecadienal, (E,E)-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Regulation (EC) No 1831/2003 (amended)2,4-Undecadienal: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Irrit. 2 (94.4%)Not Classified |
| Personal protective equipment (PPE) | Eyeshields, Gloves |
| Water hazard class (WGK) | 3 |
| TSCA inventory status | TSCA listed |
| Customs code | 29121900 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Safety statements (S) | 24/25 |
| Storage class | 10 - Combustible liquids |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P305+P351+P338 |
Applications & Uses
Uses
An intermediate for the synthesis of mivacurium