Phenyl Stearate - ≥98% , CAS No.637-55-8

CAS: 637-55-8 Cat. No.: P160060 分子式: C₂₄H₄₀O₂ 分子量: 360.58 Beilstein Registry Number: 6(4)618 EC番号: 211-291-0 PubChem CID: 69477

グレード＆純度 ≥98%

Synonyms

O0007 | Stearic acid, phenyl ester | MFCD00026663 | AI3-01770 | FT-0632707 | phenyl octadecanoate | NSC57588 | NSC-57588 | NSC 57588 | NCIOpen2_007662 | D91784 | NUMNZKICGJJSHN-UHFFFAOYSA-N | DTXSID1060922 | Stearic Acid Phenyl Ester | Phenyl stearate | S

Storage

Room temperature

Shipped In

Normal

仕様

同義語

O0007 | Stearic acid, phenyl ester | MFCD00026663 | AI3-01770 | FT-0632707 | phenyl octadecanoate | NSC57588 | NSC-57588 | NSC 57588 | NCIOpen2_007662 | D91784 | NUMNZKICGJJSHN-UHFFFAOYSA-N | DTXSID1060922 | Stearic Acid Phenyl Ester | Phenyl stearate | S

仕様と純度

≥98%

保管条件

Room temperature

入荷

Normal

純度

≥98%

名前と識別子

パブケム・シド

488184331

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488184331

カノニカル・スマイル

CCCCCCCCCCCCCCCCCC(=O)OC1=CC=CC=C1

IUPAC Name

phenyl octadecanoate

InChIKey

NUMNZKICGJJSHN-UHFFFAOYSA-N

INCHI

1S/C24H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-24(25)26-23-20-17-16-18-21-23/h16-18,20-21H,2-15,19,22H2,1H3

異性体SMILES

CCCCCCCCCCCCCCCCCC(=O)OC1=CC=CC=C1

PubChem CID

69477

分子量

360.58

Beilstein

6(4)618

Reaxy-Rn

1886661

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Phenol esters

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Phenol esters
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol esters
• Alternative Parents: Phenoxy compounds Fatty acid esters Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenol ester - Phenoxy compound - Fatty acid ester - Fatty acyl - Monocyclic benzene moiety - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as phenol esters. These are aromatic compounds containing a benzene ring substituted by a hydroxyl group and an ester group.
• 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

化学的性質と物理的性質

• 沸点（°C）: 267°C/15mmHg(lit.)
• 融点（°C）: 53 °C
• 分子量: 360.600 g/mol
• XLogP3: 10.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 18
• Exact Mass: 360.303 Da
• Monoisotopic Mass: 360.303 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 307.000
• 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

よくある質問

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.

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 637-55-8, the molecular formula is C24H40O2, and the molecular weight is 360.58 g/mol. InChIKey NUMNZKICGJJSHN-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.