Basic information
- CAS
3163-37-9- Standard SMILES
CCCCCCCCCCCCCC=CC=O- InChIKey
KLJFYXOVGVXZKT-UHFFFAOYSA-N- Molecular formula
- C16H30O
- Average molar mass
- 238.41 g/mol
- Monoisotopic mass
- 238.22966558
Names & identifiers
- Preferred name
- E-2-Hexadecanal
- IUPAC
- hexadec-2-enal
- English name
- (2E)-hexadecenal
- Molecular formula
- C16H30O
- Molecular weight
- 238.41
Names & synonyms
E-2-HEXADECANALSCHEMBL158907orb3210125SCHEMBL1783150DTXSID101375473AKOS030236410NS0001674516:1 aldehyde(2E)-hexadecenal(2E)-HEXADECENAL16:1 ALDEHYDE
Database identifiers
- CAS
3163-37-9- PubChem CID
- 145684
- DTXSID
DTXSID101375473
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 13
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 172
Physicochemical properties
- Melting point
- 34 °C · 34 °C
- Boiling point
- 332.6 · 332.6±11.0 °C(Predicted)
- Density
- 0.84 · 0.840±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- form
- powder
- InChI
- 1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h14-16H,2-13H2,1H3/b15-14+
- InChIKey
- KLJFYXOVGVXZKT-CCEZHUSRSA-N
- SMILES
- CCCCCCCCCCCCC/C=C/C([H])=O
- FDA UNII
- 79 H35Z0RU · Z79H35Z0RU
- UNSPSC Code
- 12352211 · 12352211
- NACRES
- 25 · NA.25
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
Uses16:1 aldehyde ((2E)-hexadecenal) has been used as an internal standard for extraction and detection of derivatized fatty aldehydes from HepG2 cell line by high performance liquid chromatography-electrospray ionization-quadrupole/time-of flight mass spectrometry (HPLC-ESI-QTOF).
General DescriptionFatty aldehydes are enzymatically converted to fatty alcohols and fatty acids. When assessing S1P lyase enzymatic activity, the estimation of fatty aldehyde stability during the reaction is required. The (2E)-hexadecenal(d5) (857461) is suitable as the internal standard for LC/MS/MS approaches to quantify the product of S1P degradation by S1P lyase, (2E)-hexadecenal; however, a natural (2E)-hexadecenal (857469) is needed to evaluate its stability during enzymatic reaction. The method describing the details of the use of both (2E)-hexadecenal(d5) and (2E)-hexadecenal for LC/MS/MS-based characterization of S1P lyase reaction is in preparation for publication by Berdyshev et al.Personal communication from Evgeny Berdyshev, Ph.D., Assistant Professor, University of Illinois at Chicago.
Upstream & downstream products
Upstream raw materials
Suppliers5 total
Aladdin Scientific[email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
Creative Enzymes1-516-855-7709 · [email protected]
成都华纯科技有限公司400-1166-196 15982826727 · [email protected]
上海甄准生物科技有限公司18019219489 18901678489 · [email protected]
Related reactions
2 records
Compound notes
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