12-Hydroxystearic Acid (CAS 106-14-9): Properties, Molar Dosing and a Sourcing Checklist
12-Hydroxystearic Acid (CAS 106-14-9; InChIKey ULQISTXYYBZJSJ-UHFFFAOYSA-N) is a chemical raw material used in Polymers & Additives, with formula C18H36O3 and molecular weight 300.5 g/mol. This page lists database-verifiable properties, what those values imply for formulation and QC, and a specification checklist for Polymers & Additives applications.
Key takeaways
- XLogP = 6.5 indicates lipophilic behaviour: poor aqueous dispersion requires a matched solvent, emulsifier or carrier, and direct addition to water risks precipitation or phase separation.
- TPSA 58 Ų and 2 H-bond donors / 3 acceptors mean a small polar surface area usually favours compatibility with non-polar resins and oils.
- Molecular weight 300.5 g/mol: 1 mol = 300.5 g. Use this for stoichiometric, neutralisation or substitution calculations — never substitute a related material by mass alone. Accurate mass 300.26644501 supports HRMS identification (add a proton for [M+H]+).
- InChIKey ULQISTXYYBZJSJ-UHFFFAOYSA-N is the reliable cross-database identifier — more dependable than a trade or common name for ruling out hydrate/anhydrous and same-name-different-substance mix-ups.
Published properties of 12-Hydroxystearic Acid (by CAS 106-14-9)
| Property | Value |
|---|---|
| Molecular formula | C18H36O3 |
| Molecular weight | 300.5 g/mol |
| Accurate mass | 300.26644501 |
| IUPAC name | 12-hydroxyoctadecanoic acid |
| InChIKey | ULQISTXYYBZJSJ-UHFFFAOYSA-N |
| XLogP | 6.5 |
| Topological polar surface area | 57.5 Ų |
| H-bond donors / acceptors | 2 / 3 |
| Rotatable bonds | 16 |
| Heavy atoms | 21 |
| Melting point (product page) | 82 °C |
Computed values above: PubChem CID 7789; melting/boiling points, where shown, come from the site product page.
What the numbers mean in practice
| Aspect | Evidence and actionable conclusion |
|---|---|
| Solubility & compatibility | XLogP = 6.5 indicates lipophilic behaviour: poor aqueous dispersion requires a matched solvent, emulsifier or carrier, and direct addition to water risks precipitation or phase separation. |
| Molecular polarity | TPSA 58 Ų and 2 H-bond donors / 3 acceptors mean a small polar surface area usually favours compatibility with non-polar resins and oils. |
| Dosing & analytical checks | Molecular weight 300.5 g/mol: 1 mol = 300.5 g. Use this for stoichiometric, neutralisation or substitution calculations — never substitute a related material by mass alone. Accurate mass 300.26644501 supports HRMS identification (add a proton for [M+H]+). |
| Substance identity | InChIKey ULQISTXYYBZJSJ-UHFFFAOYSA-N is the reliable cross-database identifier — more dependable than a trade or common name for ruling out hydrate/anhydrous and same-name-different-substance mix-ups. |
| Crystallisation & incoming QC | 16 rotatable bonds: flexible molecules often crystallise slowly and form solvates. If caking or a broad melting range appears, check polymorph and residual solvent before rejecting the assay. |
Specification checklist for Polymers & Additives use
| Check | Why it matters | How to verify |
|---|---|---|
| Batch baseline (CAS 106-14-9) | Product-specific values to check line by line against the COA and specification; salts and hydrates differ | 分子量 300.5 g/mol; XLogP 6.5; TPSA 58 Ų; InChIKey ULQISTXYYBZJSJ-UHFFFAOYSA-N |
| Molecular weight & distribution | Governs mechanical strength and process flow | Request Mn/Mw/PDI or melt index with the test method |
| Additives & residues | Residual catalyst and monomer affect odour, colour and ageing | Specify residual monomer, ash and volatile limits |
| Thermal stability | Narrow processing windows invite degradation | Check TGA/DSC or HDT against the equipment temperature profile |
| Lot consistency | Lot drift amplifies finished-product variation | Keep capability records for key indices and retained samples |
Frequently asked questions
What are the formula, molecular weight and identifiers of 12-Hydroxystearic Acid (CAS 106-14-9)?
Formula C18H36O3, molecular weight 300.5 g/mol; accurate mass 300.26644501. CAS 106-14-9 resolves the substance across PubChem and ChemSpider; InChIKey ULQISTXYYBZJSJ-UHFFFAOYSA-N distinguishes same-name substances, salts and hydrates. Use the molecular weight for stoichiometric conversion; purity and grade follow the batch COA.
Is 12-Hydroxystearic Acid suitable for Polymers & Additives applications, and what should be checked first?
Three checks: (1) the regulatory grade and production licence for the intended use; (2) impurity and safety indices plus test methods on the batch COA; (3) identity via CAS and substance identifiers to rule out hydrate/anhydrous or salt/free-form mix-ups. With XLogP 6.5 and TPSA 58 Ų, validate aqueous versus oil-phase dispersion by a bench test before fixing the addition method.
How is the dosage of 12-Hydroxystearic Acid calculated from molecular weight?
At 300.5 g/mol, 1 mol = 300.5 g. Blending, substitution and neutralisation should be calculated on molar equivalence, not by substituting mass parts of a related material. For hydrates or salts, adjust for active content and water of crystallisation from the COA.
What incoming-QC tests apply to 12-Hydroxystearic Acid on arrival?
At minimum: match the COA lot to the goods; retest assay and loss on drying / water; confirm identity via InChIKey ULQISTXYYBZJSJ-UHFFFAOYSA-N or spectroscopy; retain a sample with opening conditions logged. Caking, colour shift or a broad melting range should trigger polymorph and residual-solvent checks.
Related materials
- 2,6-Dimethoxyphenol（CAS 91-10-1）：CAS 91-10-1: listed in the same Polymers & Additives directory — compare grade, test method and COA items
- Methyl phenethyl ether（CAS 3558-60-9）：CAS 3558-60-9: a separate CAS entry; compare impurity limits and packaging conditions for Polymers & Additives use
- Rotundone（CAS 14765-30-1）：CAS 14765-30-1: when used in Polymers & Additives formulations, confirm addition order by a bench test before dosing
- Ammonium bromide（CAS 12124-97-9）：CAS 12124-97-9: listed in the same Polymers & Additives directory — compare grade, test method and COA items
- Acetylsalicylic acid（CAS 50-78-2）：shares the 'icacid' core; before substituting, check the CAS and molecular-weight gap, as salt formation adds a counter-ion
- Aluminium stearate（CAS 637-12-7）：belongs to the same 'stear' series — confirm it is the same CAS; salt and free-form assays are not interchangeable by mass
For side-by-side comparison see site search for 12-Hydroxystearic Acid, or browse the Organic Chemicals directory.
Supply & compliance
Jinan Shenghe Chemical Co., Ltd. supplies industrial and fine chemicals. When enquiring, state the product name, CAS, target grade and packaging; COA, SDS and technical data sheets are available with the shipment. Contact: info@chemsp.cn | +86-18553102138. This page is technical information for industrial raw materials; regulated food, feed, cosmetic or pharmaceutical uses require the corresponding grade and compliance with local rules.
Data sources
Source: PubChem computed properties, CID 7789 (https://pubchem.ncbi.nlm.nih.gov/compound/7789), accessed 2026-11-11; melting/boiling points, where shown, come from the site product page. Hydrates and salts carry different values — verify by CAS and InChIKey.