Cetoleic acid
Also known as (Z)-docos-11-enoic acid, 11Z-docosenoic acid, (Z)-11-docosenoic acid
Key facts
What buyers check first
- CAS number
- 1002-96-6
- Formula
- C22H42O2
- Molar mass
- 338.58 g/mol
- HS code
- 291619
- Category
- Lipids and fatty acids
What is Cetoleic acid?
Plain description, key identifiers and synonyms
Cetoleic acid is a docosenoic acid having a cis-double bond at position 11. It has a role as a Daphnia tenebrosa metabolite. It is a conjugate acid of a cetoleate.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- (Z)-docos-11-enoic acid
- CAS number
- 1002-96-6 CAS number cross-checked
- Molecular formula
- C22H42O2
- UNII
- 62EZI2C5SE
- MDL number
- MFCD22199801
- InChIKey
- KJDZDTDNIULJBE-QXMHVHEDSA-N
- InChI
- InChI=1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h11-12H,2-10,13-21H2,1H3,(H,23,24)/b12-11-
- Canonical SMILES
- CCCCCCCCCCC=CCCCCCCCCCC(=O)O
- Isomeric SMILES
- CCCCCCCCCC/C=C\CCCCCCCCCC(=O)O
Synonyms
- (Z)-docos-11-enoic acid
- 11Z-docosenoic acid
- (Z)-11-docosenoic acid
- cis-11-docosenoic acid
- 11-Docosenoic acid, (Z)-
- cis-docos-11-enoic acid
- 22:1, n-11 cis
- 11-docosaenoic acid
- C22:1.n-11 cis
- Fatty Acid 22:1 n-11 cis
- Fatty Acid cis 22:1 n-11
- cis-cetoleic acid
- (11Z)-docos-11-enoic acid
- cis-Delta(11)-docosenoic acid
- cis-11-docosenoate
- (Z)-11-docosenoate
- 11-Docosenoic acid, (11Z)-
- cis-Delta(11)-docosenoate
- (11Z)-docos-11-enoate
- Cetolic acid
- Cetoleinsaeure
- cis-cetoleate
- 11Z-docosenoate
- C22:1n-11
- Docos-11c-ensaeure
Show all 31 synonymsShow fewer synonyms
- docos-11c-enoic acid
- C22:1, n-11 cis
- 11-Docosenoic acid, cis-
- (11Z)-11-Docosenoic acid
- cis-Cetoleic acid (cis-22:1n-11)
- cis-11-docosenoic acid, C22:1n-11
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 | 338.58 g/molcalc.Computed value |
|---|---|
| Exact mass | 338.3185 Dacalc.Computed value |
| LogP (octanol/water) | 7.67calc.Computed value |
| Topological polar surface area | 37.3 Ųcalc.Computed value |
| Hydrogen bond donors | 1calc.Computed value |
| Hydrogen bond acceptors | 1calc.Computed value |
| Rotatable bonds | 19calc.Computed value |
| Heavy atoms | 24calc.Computed value |
| Rings | 0calc.Computed value |
| Aromatic rings | 0calc.Computed value |
| Fraction sp3 carbons | 0.86calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 0calc.Computed value |
| Lipinski rule of five | Passes (1 violation)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Safety and hazards
GHS classification summary, not a safety data sheet
No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
Cetoleic acid suppliers
Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings
- China, ChengduUnclaimed profileCetoleic acidGrade, purity and minimum order on requestPrice on request
Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.
Where suppliers are based
1 supplier in 1 country
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Cetoleic acid 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
Roles
- Daphnia metabolite
- Daphnia tenebrosa metabolite
- animal metabolite
- crustacean metabolite
- eukaryotic metabolite
- metabolite
Pharmacology
Cetoleic Acid is a monounsaturated very long-chain fatty acid with a 22-carbon backbone and a single double bond originating from the 11th position from the methyl end.
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 Cetoleic acid is traded under.
Unsaturated acyclic monocarboxylic acids, their anhydrides, halides, peroxides…
- United States17.1%
- Netherlands7.8%
- South Korea7.0%
* Partner reported figures, a lower bound.
The HS code shown for Cetoleic acid is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Related chemicals
Parent and salt forms, stereoisomers, similar structures and isomers
Stereoisomers and isotopic forms
Same connectivity, different stereochemistry or isotopes (same InChIKey skeleton)
Similar structures
Nearest neighbours by Morgan fingerprint Tanimoto similarity
Same formula isomers
Different compounds that share this molecular formula
Frequently asked questions
Quick answers about Cetoleic acid, based on the data on this page
What is Cetoleic acid?
What is the CAS number of Cetoleic acid?
What is the molecular formula and weight of Cetoleic acid?
What is Cetoleic acid used for?
Is Cetoleic acid hazardous?
What is the HS code of Cetoleic acid?
Where can I buy Cetoleic acid?
What is the price of Cetoleic acid?
Guides for buyers
Practical guides that help when you source, ship or handle Cetoleic acid
- 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 logisticsHS codes for chemicals and why they matterHow the Harmonized System classifies chemicals, the chapters that matter, the rules for chemically defined compounds and mixtures, and practical steps to find the right code.Read
- 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
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