Calcium isohexadecanoate
Also known as Calcium bis(14-methylpentadecanoate)
Key facts
What buyers check first
- CAS number
- 95934-92-2
- Formula
- C32H62CaO4
- Molar mass
- 550.92 g/mol
- EC number
- 306-087-4
- HS code
- 291590
- Category
- Soaps and metal soaps
What is Calcium isohexadecanoate?
Plain description, key identifiers and synonyms
Calcium isohexadecanoate is a chemical substance with the molecular formula C32H62CaO4 and a molar mass of 550.92 g/mol. Its CAS registry number is 95934-92-2. The IUPAC name is calcium bis(14-methylpentadecanoate).
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- calcium bis(14-methylpentadecanoate)
- CAS number
- 95934-92-2 CAS number cross-checked
- EC number
- 306-087-4
- Molecular formula
- C32H62CaO4
- InChIKey
- SYUYMDIBFKKQEK-UHFFFAOYSA-L
- InChI
- InChI=1S/2C16H32O2.Ca/c2*1-15(2)13-11-9-7-5-3-4-6-8-10-12-14-16(17)18;/h2*15H,3-14H2,1-2H3,(H,17,18);/q;;+2/p-2
- SMILES (canonical and isomeric)
- CC(C)CCCCCCCCCCCCC(=O)[O-].CC(C)CCCCCCCCCCCCC(=O)[O-].[Ca+2]
Synonyms
- Calcium bis(14-methylpentadecanoate)
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 | 550.92 g/molcalc.Computed value |
|---|---|
| Exact mass | 550.4274 Dacalc.Computed value |
| LogP (octanol/water) | 7.77calc.Computed value |
| Topological polar surface area | 80.26 Ųcalc.Computed value |
| Hydrogen bond donors | 0calc.Computed value |
| Hydrogen bond acceptors | 4calc.Computed value |
| Rotatable bonds | 26calc.Computed value |
| Heavy atoms | 37calc.Computed value |
| Rings | 0calc.Computed value |
| Aromatic rings | 0calc.Computed value |
| Fraction sp3 carbons | 0.94calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 0calc.Computed value |
| Components | 3calc.Computed value |
| Lipinski rule of five | Fails (2 violations)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.
Calcium isohexadecanoate suppliers
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Calcium isohexadecanoate 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
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 Calcium isohexadecanoate is traded under.
Saturated acyclic monocarboxylic acids, anhydrides, halides, peroxides, peroxyacids and halogenated…
- China14.4%
- Netherlands11.7%
- United States11.5%
The HS code shown for Calcium isohexadecanoate is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Calcium isohexadecanoate, based on the data on this page
What is Calcium isohexadecanoate?
What is the CAS number of Calcium isohexadecanoate?
What is the molecular formula and weight of Calcium isohexadecanoate?
What is Calcium isohexadecanoate used for?
Is Calcium isohexadecanoate hazardous?
What is the HS code of Calcium isohexadecanoate?
Where can I buy Calcium isohexadecanoate?
What is the price of Calcium isohexadecanoate?
Guides for buyers
Practical guides that help when you source, ship or handle Calcium isohexadecanoate
- 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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