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trans,trans-2,4-Undecadienal, remainder mainly trans,cis isomer
Basic Description
Synonyms
7L26S7BW06 | trans,trans-2,4-Undecadienal, >=90% | trans,trans-2,4-Undecadienal, remainder mainly trans,cis isomer | (2E,4E)-2,4-Undecadienal | CHEBI:8716 | EINECS 250-148-7 | 2,4-Undecadienal, (2E,4E)- | UVIUIIFPIWRILL-UHFFFAOYSA-N | UNII-7L26S7BW06 | AK
Specifications & Purity
≥95%
Storage Temp
Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Aldehydes
Direct Parent
Medium-chain aldehydes
Alternative Parents
Enals Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic acyclic compounds
Substituents
Medium-chain aldehyde - Enal - Alpha,beta-unsaturated aldehyde - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as medium-chain aldehydes. These are an aldehyde with a chain length containing between 6 and 12 carbon atoms.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
Pubchem Sid
504763762
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504763762
IUPAC Name
(2E,4E)-undeca-2,4-dienal
INCHI
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
CCCCCCC=CC=CC=O
Isomeric SMILES
CCCCCC/C=C/C=C/C=O
PubChem CID
5367531
Molecular Weight
166.26
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
air sensitive
Refractive Index
1.511 - 1.517
Boil Point(°C)
128-129° C at 10 mmHg
Molecular Weight
166.260 g/mol
XLogP3
3.800
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
7
Exact Mass
166.136 Da
Monoisotopic Mass
166.136 Da
Topological Polar Surface Area
17.100 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
145.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
2
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
2
Covalently-Bonded Unit Count
1
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B2325025