Sebacic acid - CP, ≥98% , CAS No.111-20-6

CAS: 111-20-6 Cat. No.: S108452 Fórmula: C₁₀H₁₈O₄ Peso molecular: 202.25 Beilstein Registry Number: 1210591 Número EC: 203-845-5 PubChem CID: 5192

CALIDAD & PUREZA CP, ≥98%

Synonyms

AKOS000120056 | STL146585 | A894762 | 1i8j | NCGC00164361-03 | 1l6s | Acide sebacique [French] | SebacicAcid | Seracic acid | MFCD00004440 | 1,10-Decanedioic acid | BP-27864 | FT-0696757 | s5732 | SEBACIC ACID [INCI] | SEBACIC ACID [MART.] | BRN 1210591 |

Storage

Room temperature

Shipped In

Normal

Especificaciones

Sinónimos

AKOS000120056 | STL146585 | A894762 | 1i8j | NCGC00164361-03 | 1l6s | Acide sebacique [French] | SebacicAcid | Seracic acid | MFCD00004440 | 1,10-Decanedioic acid | BP-27864 | FT-0696757 | s5732 | SEBACIC ACID [INCI] | SEBACIC ACID [MART.] | BRN 1210591 |

Especificaciones y pureza

CP, ≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Grado

CP

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

488179883

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488179883

Sonrisas canónicas

C(CCCCC(=O)O)CCCC(=O)O

IUPAC Name

decanedioic acid

InChIKey

CXMXRPHRNRROMY-UHFFFAOYSA-N

INCHI

1S/C10H18O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14/h1-8H2,(H,11,12)(H,13,14)

Isómeros SMILES

C(CCCCC(=O)O)CCCC(=O)O

WGK Alemania

1

RTECS

VS0875000

PubChem CID

5192

Peso molecular

202.25

Beilstein

1210591

Reaxy-Rn

1210591

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: 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 acyclic 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 acyclic compound
• Descripción: 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: Dicarboxylic 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

Objetivos asociados (humanos)

A498 (42825 Activities)

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CAKI-1 (44928 Activities)

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CCRF-CEM (65223 Activities)

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COLO 205 (50209 Activities)

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DLD-1 (17511 Activities)

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DMS-273 (14108 Activities)

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HL-60 (67320 Activities)

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HT-29 (80576 Activities)

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K562 (73714 Activities)

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KM12 (47707 Activities)

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MCF7 (126967 Activities)

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MOLT-4 (49676 Activities)

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OVCAR-3 (48710 Activities)

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OVCAR-4 (44535 Activities)

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OVCAR-5 (45555 Activities)

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OVCAR-8 (47708 Activities)

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RPMI-8226 (44974 Activities)

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RXF 393 (41971 Activities)

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SF-295 (48000 Activities)

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SK-MEL-2 (46422 Activities)

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SK-MEL-28 (48833 Activities)

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SK-MEL-5 (47095 Activities)

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SK-OV-3 (52876 Activities)

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SN12C (47755 Activities)

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SNB-19 (46794 Activities)

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SNB-78 (14240 Activities)

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THP-1 (11052 Activities)

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U-251 (51189 Activities)

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UACC-257 (46019 Activities)

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UACC-62 (47335 Activities)

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UO-31 (46270 Activities)

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XF498 (12972 Activities)

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A549 (127892 Activities)

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NCI/ADR-RES (33767 Activities)

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EKVX (44102 Activities)

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NCI-H322M (45589 Activities)

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HCC 2998 (41480 Activities)

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HCT-116 (91556 Activities)

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HOP-18 (11577 Activities)

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HOP-92 (41141 Activities)

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NCI-H460 (60772 Activities)

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SF-268 (49410 Activities)

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IGROV-1 (47897 Activities)

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KM-20L2 (14967 Activities)

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LOX IMVI (44321 Activities)

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HOP-62 (47048 Activities)

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M19-MEL (15326 Activities)

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Malme-3M (44254 Activities)

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SNB-75 (44215 Activities)

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NCI-H226 (44470 Activities)

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Objetivos asociados (no humanos)

Hdac1 Histone deacetylase 1 (93 Activities)

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Hdac6 Histone deacetylase 6 (222 Activities)

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HD1 Histone deacetylase (38 Activities)

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P388 (20296 Activities)

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P388/ADR (1216 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Slightly soluble in water, soluble in alcohol and ether.
• Sensibilidad: Moisture sensitive.
• Punto de inflamación (°F): 428°F
• Punto de inflamación (°C): 220℃
• Punto de ebullición (°C): 295 °C/100 mmHg
• Punto de fusión (°C): 131-134°C
• Peso molecular: 202.250 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 202.121 Da
• Monoisotopic Mass: 202.121 Da
• Topological Polar Surface Area: 74.600 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 157.000
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What does CP mean?

CP is a defined analytical purity tier suitable for general analytical and reagent applications. It specifies a minimum assay percentage, controlled limits on common impurities (water, heavy metals, residue on ignition), and lot-to-lot consistency. CP is one of several purity tiers — choose based on the sensitivity and regulatory requirements of your method.

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 111-20-6, the molecular formula is C10H18O4, and the molecular weight is 202.25 g/mol. InChIKey CXMXRPHRNRROMY-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.