Undecanoic acid - Standard for GC, ≥99.5%(GC) , CAS No.112-37-8

CAS: 112-37-8 Cat. No.: U109483 Summenformel: C₁₁H₂₀O₂ Molekulargewicht: 186.29 Beilstein Registry Number: 1759287 EG-Nummer: 203-964-2 PubChem CID: 8180

QUALITÄT & REINHEIT Standard for GC, ≥99.5%(GC)

Synonyms

75EF58E9-1C6B-4875-8B82-D0B7A10FAEA2 | Tox21_201031 | undecanoate | Undekansaeure | 1-Decanecarboxylic acid | BDBM50511006 | NSC 7885 | CAS-112-37-8 | UNDECANOIC ACID [FHFI] | bmse000563 | BP-27912 | HY-W004282 | Z104473988 | CHEBI:32368 | HMS3740G13 | A8

Storage

Room temperature

Shipped In

Normal

Spezifikationen

Synonyme

75EF58E9-1C6B-4875-8B82-D0B7A10FAEA2 | Tox21_201031 | undecanoate | Undekansaeure | 1-Decanecarboxylic acid | BDBM50511006 | NSC 7885 | CAS-112-37-8 | UNDECANOIC ACID [FHFI] | bmse000563 | BP-27912 | HY-W004282 | Z104473988 | CHEBI:32368 | HMS3740G13 | A8

Spezifikationen & Reinheit

Standard for GC, ≥99.5%(GC)

Storage

Room temperature

Verschickt in

Normal

Note

Standard for GC

Reinheit

≥99.5%(GC)

Namen und Kennungen

Pubchem Sid

528770192

Kanonisches Lächeln

CCCCCCCCCCC(=O)O

IUPAC Name

undecanoic acid

InChIKey

ZDPHROOEEOARMN-UHFFFAOYSA-N

INCHI

1S/C11H22O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-10H2,1H3,(H,12,13)

Isomere SMILES

CCCCCCCCCCC(=O)O

WGK Deutschland

1

RTECS

YQ2275000

PubChem CID

8180

Molekulargewicht

186.29

Beilstein

1759287

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Medium-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: Medium-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
• Beschreibung: This compound belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 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

Zugehörige Ziele (menschlich)

GPR84 Tchem G-protein coupled receptor 84 (0 Activities)

Discover Target: GPR84

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Zugehörige Ziele (nicht menschlich)

Bacillus subtilis (32866 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Bursaphelenchus xylophilus (372 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Insoluble in water, soluble in ethanol and ether.
• Gefrierpunkt (°C): 28 °C
• Flammpunkt (°F): 235.4 °F
• Flammpunkt (°C): 113 °C
• Siedepunkt (°C): 228°C
• Schmelzpunkt (°C): 28-31°C
• Molekulargewicht: 186.290 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 9
• Exact Mass: 186.162 Da
• Monoisotopic Mass: 186.162 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 121.000
• 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