Cyclocarboxypropyloleic acid - Acid Value：265-290 mgKOH/g, used for Salts of XP21 dibasic acid act as high-efficiency coupling agents for nonionic surfactants, anionic surfactants and phenolic disinfectants. As a booster for nonionic surfactants in hard-s

CAS: 53980-88-4 Cat. No.: C1022915 Summenformel: C₂₁H₃₆O₄ Molekulargewicht: 352.51 EG-Nummer: 258-897-1

GRADE & PURITY Acid Value：265-290 mgKOH/g

Synonyms

5(6)-Carboxy-4-Hexylcyclohex-2-Ene-1-Octanoic Acid | 2-Hexyl-5-(8-Hydroxy-8-Oxo-Octyl)Cyclohex-3-Ene-1-Carboxylic Acid | 2-Hexyl-5-(8-Hydroxy-8-Oxooctyl)-1-Cyclohex-3-Enecarboxylic Acid | 2-Hexyl-5-(8-Hydroxy-8-Keto-Octyl)Cyclohex-3-Ene-1-Carboxylic Acid

Storage

Room temperature,Desiccated

Shipped In

Normal

Übersicht

XP21 dibasic acid is a liquid monocyclic C21 dibasic acid derived from vegetable oil fatty acids. It serves as a surfactant and chemical intermediate, and is widely applied in industrial cleaners, metalworking fluids, textile auxiliaries, oilfield corrosion inhibitors and other fields.

Specifications

Synonyme

5(6)-Carboxy-4-Hexylcyclohex-2-Ene-1-Octanoic Acid | 2-Hexyl-5-(8-Hydroxy-8-Oxo-Octyl)Cyclohex-3-Ene-1-Carboxylic Acid | 2-Hexyl-5-(8-Hydroxy-8-Oxooctyl)-1-Cyclohex-3-Enecarboxylic Acid | 2-Hexyl-5-(8-Hydroxy-8-Keto-Octyl)Cyclohex-3-Ene-1-Carboxylic Acid

Spezifikationen & Reinheit

Acid Value：265-290 mgKOH/g

Anmeldung

Salts of XP21 dibasic acid act as high-efficiency coupling agents for nonionic surfactants, anionic surfactants and phenolic disinfectants. As a booster for nonionic surfactants in hard-surface cleaning, XP21 is compatible with various nonionic and anioni

Storage

Room temperature,Desiccated

Verschickt in

Normal

Namen und Kennungen

Kanonisches Lächeln

CCCCCCC1C=CC(CC1C(=O)O)CCCCCCCC(=O)O

IUPAC Name

5-(7-carboxyheptyl)-2-hexylcyclohex-3-ene-1-carboxylic acid

InChIKey

RYKIXDBAIYMFDV-UHFFFAOYSA-N

INCHI

1S/C21H36O4/c1-2-3-4-9-12-18-15-14-17(16-19(18)21(24)25)11-8-6-5-7-10-13-20(22)23/h14-15,17-19H,2-13,16H2,1H3,(H,22,23)(H,24,25)

Molekulargewicht

352.51

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: Dicarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Medium-chain fatty acid - Dicarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homomonocyclic 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: Not available

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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 352.500 g/mol
• XLogP3: 6.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 14
• Exact Mass: 352.261 Da
• Monoisotopic Mass: 352.261 Da
• Topological Polar Surface Area: 74.600 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 416.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 3
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1