Basic information
- CAS
13162-46-4- Standard SMILES
CCCCCC/C=C/C=C/C=O- InChIKey
UVIUIIFPIWRILL-XBLVEGMJSA-N- Molecular formula
- C11H18O
- Average molar mass
- 166.26 g/mol
- Monoisotopic mass
- 166.13576519
Overview
2,4-Undecadienal is a polyunsaturated fatty aldehyde.
Names & identifiers
- Preferred name
- 2,4-Undecadienal
- IUPAC
- (2E,4E)-undeca-2,4-dienal
- English name
- trans,trans-2,4-Undecadienal
- Molecular formula
- C11H18O
- Molecular weight
- 166.26
Names & synonyms
2,4-Undecadienal(2E,4E)-Undeca-2,4-dienal30361-29-613162-46-42,4-Undecadienal, (2E,4E)-trans,trans-2,4-Undecadien-1-al2,4-trans,trans-Undecadienal2,4-Undecadienal, (E,E)-Undeca-2,4-dien-1-al(E,E)-2,4-Undecadien-1-alFEMA No. 3422UNII-7L26S7BW06
Show more names
FEMA 34222,4-UNDECADIEN-1-AL2-PENTANOL 98+%Undecadienalpract(E,E)-2,4-Undecanal(e,e)-4-undecadienal2E,4E-Undecadien-1-al4-Undecadienal,(E,E)-2
7L26S7BW06EINECS 250-148-7DTXSID608854762,4-UNDECADIENAL [FHFI]UNDECA-TRANS-2,TRANS-4-DIENAL2,4-UNDECADIENAL, TRANS,TRANS-RefChem:82649DTXCID20909607
Database identifiers
- CAS
13162-46-4、30361-29-6- PubChem CID
- 5367531
- DTXSID
DTXSID60885476- ChEBI
CHEBI:169399
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 7
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 145
Experimental & physicochemical properties
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.896-0.906
Flavoring Agents
EU Flavoring substances
EU Flavoring substances
Solubility
Soluble in oils; Insoluble in water
soluble (in ethanol)
Boiling Point
129.00 °C. @ 13.00 mm Hg
129 °C (13 mm Hg)
Refractive Index1.500-1.505
Physical Descriptioncolourless oily liquid; very powerful oily-caramellic, "baked spicy" aroma with citrusy undertones
Physicochemical properties
- Melting point
- 170 · 170-172°C
- Boiling point
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 5.6% (79 of 1403) of reports.
Warning
H315 (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.
Hazard information
Regulatory Information
Chemical: 2,4-Undecadienal
Chemical: 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
Safety data
- PPE
- Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29121900
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H315-H319-H335
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Uses & manufacturing
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information2,4-Undecadienal, (2E,4E)-: ACTIVE
Applications
UsesAn intermediate for the synthesis of mivacurium
Upstream & downstream products
Upstream raw materials
Suppliers70 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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