18-Pentatriacontanone - ≥95% , CAS No.504-53-0

CAS: 504-53-0 Cat. No.: P160063 Formula: C₃₅H₇₀O Peso molecolare: 506.94 Beilstein Registry Number: 1(4)3413 Numero EC: 207-993-1 PubChem CID: 10440

GRADE & PURITY ≥95%

Synonyms

AI3-15184 | UNII-7IN8GA6M68 | Heptadecyl ketone | SCHEMBL29091 | 7IN8GA6M68 | Q27268356 | Stearyl ketone | NSC 83612 | P1290 | D92101 | MFCD00048491 | NSC83612 | NSC-83612 | stearon | Di-stearyl ketone | DTXSID2060125 | FT-0632242 | Di-n-heptadecyl ketone

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

AI3-15184 | UNII-7IN8GA6M68 | Heptadecyl ketone | SCHEMBL29091 | 7IN8GA6M68 | Q27268356 | Stearyl ketone | NSC 83612 | P1290 | D92101 | MFCD00048491 | NSC83612 | NSC-83612 | stearon | Di-stearyl ketone | DTXSID2060125 | FT-0632242 | Di-n-heptadecyl ketone

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥95%

Nomi e identificatori

Sorrisi canonici

CCCCCCCCCCCCCCCCCC(=O)CCCCCCCCCCCCCCCCC

IUPAC Name

pentatriacontan-18-one

InChIKey

DMCJFWXGXUEHFD-UHFFFAOYSA-N

INCHI

1S/C35H70O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(36)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-34H2,1-2H3

Isomeri SMILES

CCCCCCCCCCCCCCCCCC(=O)CCCCCCCCCCCCCCCCC

PubChem CID

10440

Peso molecolare

506.94

Beilstein

1(4)3413

Reaxy-Rn

1805753

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Ketones
• Alternative Parents: Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Ketone - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as ketones. These are organic compounds in which a carbonyl group is bonded to two carbon atoms R2C=O (neither R may be a hydrogen atom). Ketones that have one or more alpha-hydrogen atoms undergo keto-enol tautomerization, the tautomer being an enol.
• 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

Proprietà chimiche e fisiche

• Solubilità: Soluble in benzene
• Punto di ebollizione (°C): 345 °C/12 mmHg
• Punto di fusione (°C): 88 °C
• Peso molecolare: 506.900 g/mol
• XLogP3: 16.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 32
• Exact Mass: 506.543 Da
• Monoisotopic Mass: 506.543 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 365.000
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store in a cool place.

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 504-53-0, the molecular formula is C35H70O, and the molecular weight is 506.94 g/mol. InChIKey DMCJFWXGXUEHFD-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.