Aldehyde
Also known as Aldehydes, RCHO, 20-Aldehyde leukotriene B4
Key facts
What buyers check first
- CAS number
- 115609-68-2
- Formula
- C20H30O5
- Molar mass
- 350.46 g/mol
- HS code
- 291899
- Category
- Aliphatic and alicyclic building blocks
- UN number
- UN 1988
What is Aldehyde?
Plain description, key identifiers and synonyms
20-oxoleukotriene B4 is a leukotriene that is leukotriene B4 bearing an additional oxo substituent at position 20. It has a role as a metabolite. It is a long-chain fatty acid, a leukotriene, a polyunsaturated fatty acid, a dihydroxy monocarboxylic acid, a hydroxyaldehyde and an omega-oxo fatty acid. It is functionally related to an icosa-6,8,10,14-tetraenoic acid. It is a conjugate acid of a 20-oxoleukotriene B4(1-).
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- (5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxy-20-oxoicosa-6,8,10,14-tetraenoic acid
- CAS number
- 115609-68-2
- Molecular formula
- C20H30O5
- InChIKey
- LVLQYGYNBVIONY-PSPARDEHSA-N
- InChI
- InChI=1S/C20H30O5/c21-17-10-6-2-1-3-7-12-18(22)13-8-4-5-9-14-19(23)15-11-16-20(24)25/h3-5,7-9,13-14,17-19,22-23H,1-2,6,10-12,15-16H2,(H,24,25)/b5-4+,7-3-,13-8+,14-9-/t18-,19-/m1/s1
- Canonical SMILES
- O=CCCCCC=CCC(O)C=CC=CC=CC(O)CCCC(=O)O
- Isomeric SMILES
- C(CCC=O)C/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O
Synonyms
- Aldehydes
- RCHO
- 20-Aldehyde leukotriene B4
- 20-Oxoleukotriene B4
- Ltb4-20-aldehyde
- Leukotriene B4-20-aldehyde
- (5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxy-20-oxoicosa-6,8,10,14-tetraenoic acid
- 20-oxo-leukotriene B4
- 6,8,10,14-Eicosatetraenoic acid, 5,12-dihydroxy-20-oxo-, (S-(R*,S*-(E,Z,E,Z)))-
- 20cho-LTB4
- (5S,6Z,8E,10E,12R,14Z)-5,12-Dihydroxy-20-oxo-6,8,10,14-eicosatetraenoic acid
Physical and chemical properties
Measured values and descriptors computed from the structure
Physical and chemical properties
Measured values, check the supplier specification for your grade
No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.
Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.
Computed descriptors
Calculated from the structure, useful for screening and formulation
| Molecular weight | 350.46 g/molcalc.Computed value |
|---|---|
| Exact mass | 350.2093 Dacalc.Computed value |
| LogP (octanol/water) | 3.34calc.Computed value |
| Topological polar surface area | 94.83 ร
ยฒcalc.Computed value |
| Hydrogen bond donors | 3calc.Computed value |
| Hydrogen bond acceptors | 4calc.Computed value |
| Rotatable bonds | 15calc.Computed value |
| Heavy atoms | 25calc.Computed value |
| Rings | 0calc.Computed value |
| Aromatic rings | 0calc.Computed value |
| Fraction sp3 carbons | 0.5calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 2calc.Computed value |
| Lipinski rule of five | Passes (0 violations)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Safety and hazards
GHS classification summary, not a safety data sheet
- UN number
- UN 1988
- Transport hazard class
- 3
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
Full safety data and first aidAldehyde suppliers
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Aldehyde price
Indicative price range per kg from live supplier offers
Suppliers quote this chemical on request. Send one free request and compare quotes side by side.
Uses and applications
What the substance is used for, by industry and function
Industries and functions
Roles
- metabolite
Pharmacology
Aldehyde is any organic compound containing a formyl (-CHO) group. Its functional group, with the structure R-CHO, consists of a carbonyl center bonded to hydrogen and an R group. Traces of various aldehydes are found in essential oils and often contribute to their odors.
Regulatory status
Inventories, regulations and trade controls that list this substance
No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code Aldehyde is traded under.
Carboxylic acids, with additional oxygen function (not alcohol, phenol, aldehyde or ketone)โฆ
- United States25.6%
- Brazil6.7%
- Argentina5.9%
* Partner reported figures, a lower bound.
The HS code shown for Aldehyde is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Aldehyde, based on the data on this page
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Guides for buyers
Practical guides that help when you source, ship or handle Aldehyde
- Guide, Chemical identityCAS registry numbers explainedWhat a CAS number identifies, how the check digit works, why one chemical can have several numbers and what a CAS number cannot tell you about a product.Read
- Article, SourcingHow to write an RFQ that gets fast and accurate quotesWhat suppliers need to quote quickly and comparably: exact product identity, quantity and packing, delivery terms, documents, samples and payment, with a ready to use template.Read
- Guide, Trade and logisticsShipping dangerous goods: UN numbers, classes and packing groupsHow the UN dangerous goods system works for chemicals, from the nine classes and UN numbers to packing groups, UN packaging marks, labels, documents and segregation.Read
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