Stearic acid - Moligand™, for synthesis , CAS No.57-11-4

CAS: 57-11-4 Cat. No.: S432958 Formula: C₁₈H₃₆O₂ Molecular Weight: 284.48 Beilstein Registry Number: 608585 EC Number: 200-313-4 PubChem CID: 5281

GRADE & PURITY for Synthesis, Moligand™

Synonyms

Groco 55 | Hydrofol acid 1855 | Hystrene T-70 | Lunac S 20 | Stearic Acid Cherry | Glycon S-90 | Stearic acid 50 | Groco 58 | Octadecanoic acid | Acidum stearinicul | Hystrene S 97 | Pearl stearic | Caswell No. 801D | Groco 54 | Groco 55L | Groco 59 | Ste

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

Groco 55 | Hydrofol acid 1855 | Hystrene T-70 | Lunac S 20 | Stearic Acid Cherry | Glycon S-90 | Stearic acid 50 | Groco 58 | Octadecanoic acid | Acidum stearinicul | Hystrene S 97 | Pearl stearic | Caswell No. 801D | Groco 54 | Groco 55L | Groco 59 | Ste

Specifications & Purity

Moligand™, for synthesis

Storage

Room temperature

Shipped In

Normal

Grade

for Synthesis, Moligand™

Names and Identifiers

Pubchem Sid

504750863

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504750863

Canonical Smiles

CCCCCCCCCCCCCCCCCC(=O)O

IUPAC Name

octadecanoic acid

InChIKey

QIQXTHQIDYTFRH-UHFFFAOYSA-N

INCHI

1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)O

WGK Germany

1

RTECS

WI2800000

PubChem CID

5281

Molecular Weight

284.48

Beilstein

608585

Reaxy-Rn

608585

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Fatty Acyls
      • Subclass Fatty acids and conjugates

• 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: Straight chain fatty acids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Long-chain fatty acid - Straight chain 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: Straight chain fatty acids

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

F2 Tclin Thrombin (11687 Activities)

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ESR1 Tclin Estrogen receptor alpha (17718 Activities)

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HMGCR Tclin HMG-CoA reductase (2475 Activities)

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NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

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PGR Tclin Progesterone receptor (8562 Activities)

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CHRM2 Tclin Muscarinic acetylcholine receptor M2 (10671 Activities)

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HTR1A Tclin Serotonin 1a (5-HT1a) receptor (14969 Activities)

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ADRA2A Tclin Alpha-2a adrenergic receptor (9450 Activities)

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AR Tclin Androgen Receptor (11781 Activities)

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CHRM1 Tclin Muscarinic acetylcholine receptor M1 (12690 Activities)

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VDR Tclin Vitamin D receptor (26531 Activities)

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CYP19A1 Tclin Cytochrome P450 19A1 (6099 Activities)

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TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

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MAOA Tclin Monoamine oxidase A (11911 Activities)

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DRD1 Tclin Dopamine D1 receptor (9720 Activities)

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ACHE Tclin Acetylcholinesterase (18204 Activities)

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PTGS1 Tclin Cyclooxygenase-1 (9233 Activities)

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SLC6A2 Tclin Norepinephrine transporter (10102 Activities)

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SLC6A4 Tclin Serotonin transporter (12625 Activities)

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ADRA1A Tclin Alpha-1a adrenergic receptor (8359 Activities)

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PTGS2 Tclin Cyclooxygenase-2 (13999 Activities)

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OPRM1 Tclin Mu opioid receptor (19785 Activities)

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DRD3 Tclin Dopamine D3 receptor (14368 Activities)

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PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)

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SLC6A3 Tclin Dopamine transporter (10535 Activities)

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PPARA Tclin Peroxisome proliferator-activated receptor alpha (9197 Activities)

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KCNH2 Tclin HERG (29587 Activities)

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PDE3A Tclin Phosphodiesterase 3A (3309 Activities)

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HTR2B Tclin Serotonin 2b (5-HT2b) receptor (10323 Activities)

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TBXA2R Tclin Thromboxane A2 receptor (5717 Activities)

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THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

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PDE4A Tclin Phosphodiesterase 4A (1943 Activities)

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ADORA3 Tchem Adenosine A3 receptor (15931 Activities)

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FABP4 Tchem Fatty acid binding protein adipocyte (764 Activities)

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HRH3 Tclin Histamine H3 receptor (10389 Activities)

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KDR Tclin Vascular endothelial growth factor receptor 2 (20924 Activities)

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NFKB1 Tclin Nuclear factor NF-kappa-B p105 subunit (1459 Activities)

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ALOX15 Tchem Arachidonate 15-lipoxygenase (7108 Activities)

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Caco-2 (12174 Activities)

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COLO 205 (50209 Activities)

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HT-29 (80576 Activities)

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A549 (127892 Activities)

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HCT-116 (91556 Activities)

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SF-268 (49410 Activities)

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HSD17B10 Tchem Endoplasmic reticulum-associated amyloid beta-peptide-binding protein (20669 Activities)

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POLK Tbio DNA polymerase kappa (8653 Activities)

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POLL Tbio DNA polymerase lambda (184 Activities)

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APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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MEN1 Tchem Menin/Histone-lysine N-methyltransferase MLL (48157 Activities)

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Associated Targets(non-human)

Ppard Peroxisome proliferator-activated receptor delta (358 Activities)

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Ptpn1 Protein-tyrosine phosphatase 1B (270 Activities)

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Staphylococcus aureus (210822 Activities)

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Bacillus subtilis (32866 Activities)

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Mycobacterium tuberculosis (203094 Activities)

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Mycolicibacterium smegmatis (8003 Activities)

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Crithidia fasciculata (29 Activities)

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Trypanosoma cruzi (99888 Activities)

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Mus musculus (284745 Activities)

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RAW264.7 (28094 Activities)

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BCHE Cholinesterase (8742 Activities)

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Heterodera zeae (651 Activities)

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SARS-CoV-2 (38078 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: water: insoluble at20°C
• Flash Point(°F): 235.4 °F
• Flash Point(°C): 196 ℃
• Boil Point(°C): 361℃
• Melt Point(°C): 69.6°C
• Molecular Weight: 284.500 g/mol
• XLogP3: 7.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 16
• 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: 202.000
• 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

Frequently Asked Questions

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

What does for synthesis mean?

for synthesis indicates that the material has been processed and tested for specialty industrial processing. Specifications focus on the impurities that affect performance in that application — for example, metal content for electronics, particle size for batteries, refractive index for optics, or moisture content for moisture-sensitive processes.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 57-11-4, the molecular formula is C18H36O2, and the molecular weight is 284.48 g/mol. InChIKey QIQXTHQIDYTFRH-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.