Ximenynic acid
Also known as Ximeninic acid, Santalbic acid, (E)-Octadec-11-en-9-ynoic acid
Key facts
What buyers check first
- CAS number
- 557-58-4
- Formula
- C18H30O2
- Molar mass
- 278.44 g/mol
- EC number
- 209-179-1
- HS code
- 291615
- Category
- Emollients
What is Ximenynic acid?
Plain description, key identifiers and synonyms
Ximenynic acid is a long-chain fatty acid.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- (E)-octadec-11-en-9-ynoic acid
- CAS number
- 557-58-4
- EC number
- 209-179-1
- Molecular formula
- C18H30O2
- UNII
- IA0Z48P13W
- INCI name
- XYMENYNIC ACID
- InChIKey
- VENIIVIRETXKSV-BQYQJAHWSA-N
- InChI
- InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8H,2-6,11-17H2,1H3,(H,19,20)/b8-7+
- Canonical SMILES
- CCCCCCC=CC#CCCCCCCCC(=O)O
- Isomeric SMILES
- CCCCCC/C=C/C#CCCCCCCCC(=O)O
Synonyms
- Ximeninic acid
- Santalbic acid
- (E)-Octadec-11-en-9-ynoic acid
- Xymenynic acid
- trans-11-Octadecen-9-ynoic acid
- 11E-octadecen-9-ynoic acid
- Hydror il
- 11-octadecen-9-ynoic acid
- 11-Octadecen-9-ynoic acid, (E)-
- (11E)-octadec-11-en-9-ynoic acid
- Agonandoic acid
- Ximeninic acid, AldrichCPR
- trans-11-octa-decen-9-ynoic acid
- 11-Octadecen-9-ynoic acid, (11E)-
- Acetylenic acids, 11-Octadecen-9-ynoic acid, (E)-, Santalbic acid, trans-11-Octadecen-9-ynoic acid, Ximeninic acid, Agonandoic 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 | 278.44 g/molcalc.Computed value |
|---|---|
| Exact mass | 278.2246 Dacalc.Computed value |
| LogP (octanol/water) | 5.33calc.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 | 12calc.Computed value |
| Heavy atoms | 20calc.Computed value |
| Rings | 0calc.Computed value |
| Aromatic rings | 0calc.Computed value |
| Fraction sp3 carbons | 0.72calc.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.
Ximenynic acid suppliers
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Post one free request and suppliers who make or trade Ximenynic acid can send you quotes. Your contact details stay private until you accept a quote.
Ximenynic 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
Industries and functions
Cosmetic ingredient, INCI name XYMENYNIC ACID(skin conditioning - emollient, skin conditioning)
Cosmetic functions
- Skin conditioning
- Skin conditioning - emollient
Regulatory status
Inventories, regulations and trade controls that list this substance
Health and food
- EU cosmetic ingredient inventory
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code Ximenynic acid is traded under.
Oleic, linoleic or linolenic acids, their salts and esters
* Partner reported figures, a lower bound.
The HS code shown for Ximenynic acid is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Ximenynic acid, based on the data on this page
What is Ximenynic acid?
What is the CAS number of Ximenynic acid?
What is the molecular formula and weight of Ximenynic acid?
What is Ximenynic acid used for?
Is Ximenynic acid hazardous?
What is the HS code of Ximenynic acid?
Where can I buy Ximenynic acid?
What is the price of Ximenynic acid?
Guides for buyers
Practical guides that help when you source, ship or handle Ximenynic acid
- Article, FormulationHow to choose a cosmetic emulsifierA structured way to choose an emulsifier for creams and lotions: emulsion type, HLB and its limits, emulsifier families, formula fit, stability testing and what to ask suppliers.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 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
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