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Basic Description
| Synonyms | 16-METHYLHEPTADECANOIC ACID | 16-methyl-heptadecanoic acid | CAS-30399-84-9 | DSSTox_CID_7963 | Heptadecanoic acid, 16-methyl- | EINECS 220-336-3 | ISOSTEARIC ACID | AS-57253 | XDOFQFKRPWOURC-UHFFFAOYSA-N | UNII-LZM5XA0ILL | Tox21_302276 | LZM5XA0ILL | Pr |
|---|---|
| Specifications & Purity | ≥97% |
| Storage Temp | Store at 2-8°C |
| Shipped In |
Wet ice This product requires cold chain shipping. Ground and other economy services are not available. |
| Product Description |
Isostearic acid is used in the synthesis of methyl-branched poly(hydroxyalkanoate)s, biosurfactants and silver nanoparticles. |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Lipids and lipid-like molecules
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Class
Fatty Acyls
- Subclass Fatty acids and conjugates
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Class
Fatty Acyls
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Superclass
Lipids and lipid-like molecules
| Kingdom | Organic compounds |
|---|---|
| Superclass | Lipids and lipid-like molecules |
| Class | Fatty Acyls |
| Subclass | Fatty acids and conjugates |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Long-chain fatty acids |
| Alternative Parents | Methyl-branched fatty acids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Long-chain fatty acid - Methyl-branched fatty acid - Branched fatty acid - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. |
| External Descriptors | Branched fatty acids |
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Associated Targets(Human)
ESR1
Tclin
Estrogen receptor alpha (17718 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
AR
Tclin
Androgen Receptor (11781 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
PPARA
Tclin
Peroxisome proliferator-activated receptor alpha (9197 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
CRABP2
Tchem
Cellular retinoic acid-binding protein II (10 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Names and Identifiers
| Pubchem Sid | 504753059 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504753059 |
| IUPAC Name | 16-methylheptadecanoic acid |
| INCHI | InChI=1S/C18H36O2/c1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20/h17H,3-16H2,1-2H3,(H,19,20) |
| InChIKey | XDOFQFKRPWOURC-UHFFFAOYSA-N |
| Smiles | CC(C)CCCCCCCCCCCCCCC(=O)O |
| Isomeric SMILES | CC(C)CCCCCCCCCCCCCCC(=O)O |
| WGK Germany | 3 |
| RTECS | MI3875000 |
| Alternate CAS | 30399-84-9 |
| Molecular Weight | 284.48 |
| Reaxy-Rn | 1782699 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1782699&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 H2222066 |
Certificate of Analysis | Jun 10, 2025 | I346319 |
| H2222067 |
Certificate of Analysis | Jun 10, 2025 | I346319 |
| H2222065 |
Certificate of Analysis | Jun 10, 2025 | I346319 |
| L2405157 |
Certificate of Analysis | Jul 21, 2022 | I346319 |
Chemical and Physical Properties
| Solubility | Soluble in Chloroform: 50 mg/mL |
|---|---|
| Molecular Weight | 284.500 g/mol |
| XLogP3 | 7.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 15 |
| Exact Mass | 284.272 Da |
| Monoisotopic Mass | 284.272 Da |
| Topological Polar Surface Area | 37.300 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 211.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
Solution Calculators
Reviews
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