Cholesteryl hydroxystearate
Also known as Salacos HS, Estemol CHS, Cholesterol 12-hydroxystearate
Key facts
What buyers check first
- CAS number
- 40445-72-5
- Formula
- C45H80O3
- Molar mass
- 669.13 g/mol
- EC number
- 680-603-9
- HS code
- 291819
- Category
- Emollients
What is Cholesteryl hydroxystearate?
Plain description, key identifiers and synonyms
Cholesteryl hydroxystearate is a chemical substance with the molecular formula C45H80O3 and a molar mass of 669.13 g/mol. Its CAS registry number is 40445-72-5. The IUPAC name is [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 12-hydroxyoctadecanoate.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 12-hydroxyoctadecanoate
- CAS number
- 40445-72-5 CAS number cross-checked
- EC number
- 680-603-9
- Molecular formula
- C45H80O3
- UNII
- O6K1LG6N4D
- INCI name
- CHOLESTERYL HYDROXYSTEARATE
- InChIKey
- XKMYWNHZAQUEPY-YZGJEOKZSA-N
- InChI
- InChI=1S/C45H80O3/c1-7-8-9-16-22-37(46)23-17-14-12-10-11-13-15-18-24-43(47)48-38-29-31-44(5)36(33-38)25-26-39-41-28-27-40(35(4)21-19-20-34(2)3)45(41,6)32-30-42(39)44/h25,34-35,37-42,46H,7-24,26-33H2,1-6H3/t35-,37?,38+,39+,40-,41+,42+,44+,45-/m1/s1
- Canonical SMILES
- CCCCCCC(O)CCCCCCCCCCC(=O)OC1CCC2(C)C(=CCC3C2CCC2(C)C(C(C)CCCC(C)C)CCC32)C1
- Isomeric SMILES
- CCCCCCC(CCCCCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C)O
Synonyms
- Salacos HS
- Estemol CHS
- Cholesterol 12-hydroxystearate
- Cholesteryl 12-hydroxystearate
- Cholest-5-en-3-ol (3beta)-, 12-hydroxyoctadecanoate
- Cholest-5-en-3-ol (3beta)-, 3-(12-hydroxyoctadecanoate)
- Cholest-5-en-3-ol (3.beta.)-, 12-hydroxyoctadecanoate
- Cholest-5-en-3-ol (3.beta.)-, 3-(12-hydroxyoctadecanoate)
- Cholesteryl hydroxystearate, (+-)-
- Cholesteryl hydroxystearate, (+/-)-
- Cholest-5-en-3beta-yl 12-hydroxyoctadecanoate
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 | 669.13 g/molcalc.Computed value |
|---|---|
| Exact mass | 668.6107 Dacalc.Computed value |
| LogP (octanol/water) | 13.17calc.Computed value |
| Topological polar surface area | 46.53 Ųcalc.Computed value |
| Hydrogen bond donors | 1calc.Computed value |
| Hydrogen bond acceptors | 3calc.Computed value |
| Rotatable bonds | 22calc.Computed value |
| Heavy atoms | 48calc.Computed value |
| Rings | 4calc.Computed value |
| Aromatic rings | 0calc.Computed value |
| Fraction sp3 carbons | 0.93calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 9calc.Computed value |
| Lipinski rule of five | Fails (2 violations)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
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.
Cholesteryl hydroxystearate suppliers
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Where suppliers are based
1 supplier in 1 country
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Cholesteryl hydroxystearate price
Indicative price range per kg from live supplier offers
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Uses and applications
What the substance is used for, by industry and function
Use classes: Cosmetics.
Industries and functions
Cosmetic ingredient, INCI name CHOLESTERYL HYDROXYSTEARATE(skin conditioning - emollient, skin conditioning, viscosity controlling)
Functional uses
- Softener and conditioner
- Thickening agent
- Viscosity modifier
Cosmetic functions
- Skin conditioning
- Skin conditioning - emollient
- Viscosity controlling
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 Cholesteryl hydroxystearate is traded under.
Carboxylic acids with alcohol function but without other oxygen function, their…
- Germany11.7%
- South Korea9.8%
- Italy9.6%
* Partner reported figures, a lower bound.
The HS code shown for Cholesteryl hydroxystearate is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Cholesteryl hydroxystearate, based on the data on this page
What is Cholesteryl hydroxystearate?
What is the CAS number of Cholesteryl hydroxystearate?
What is the molecular formula and weight of Cholesteryl hydroxystearate?
What is Cholesteryl hydroxystearate used for?
Is Cholesteryl hydroxystearate hazardous?
What is the HS code of Cholesteryl hydroxystearate?
Where can I buy Cholesteryl hydroxystearate?
What is the price of Cholesteryl hydroxystearate?
Guides for buyers
Practical guides that help when you source, ship or handle Cholesteryl hydroxystearate
- 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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