Bhilawanol A - ≥95%(LC/MS-ELSD) , CAS No.2764-91-2

CAS: 2764-91-2 Cat. No.: B463823 Formula: C₂₁H₃₄O₂ Peso molecolare: 318.49 Numero EC: 803-511-4

Synonyms

3-(8-Pentadecenyl)-1,2-benzenediol | Bhilawanol A, >=95% (LC/MS-ELSD) | SCHEMBL11694798 | 1,2-Benzenediol, 3-(8-pentadecen-1-yl)- | 3-[(E)-pentadec-8-enyl]benzene-1,2-diol | Urushenol | 1,2-Benzenediol, 3-(8-pentadecenyl)- | Bhilawanol A

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

Description

Natural product derived from plant source.}

Specifications

Sinonimi

3-(8-Pentadecenyl)-1,2-benzenediol | Bhilawanol A, >=95% (LC/MS-ELSD) | SCHEMBL11694798 | 1,2-Benzenediol, 3-(8-pentadecen-1-yl)- | 3-[(E)-pentadec-8-enyl]benzene-1,2-diol | Urushenol | 1,2-Benzenediol, 3-(8-pentadecenyl)- | Bhilawanol A

Specifiche e purezza

≥95%(LC/MS-ELSD)

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Nomi e identificatori

• Sorrisi canonici: CCCCCCC=CCCCCCCCC1=C(C(=CC=C1)O)O
• IUPAC Name: 3-[(E)-pentadec-8-enyl]benzene-1,2-diol
• InChIKey: GWOCLAPCXDOJRL-BQYQJAHWSA-N
• INCHI: 1S/C21H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(22)21(19)23/h7-8,15,17-18,22-23H,2-6,9-14,16H2,1H3/b8-7+
• Isomeri SMILES: CCCCCC/C=C/CCCCCCCC1=C(C(=CC=C1)O)O
• Peso molecolare: 318.49
• Reaxy-Rn: 42760275
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=42760275&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenols
      • Subclass Benzenediols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenols
• Subclass: Benzenediols
• Intermediate Tree Nodes: Not available
• Direct Parent: Catechols
• Alternative Parents: 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Catechol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as catechols. These are compounds containing a 1,2-benzenediol moiety.
• 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

• Punto di infiammabilità (°F): Not applicable
• Punto di infiammabilità (°C): Not applicable
• Peso molecolare: 318.500 g/mol
• XLogP3: 8.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 13
• Exact Mass: 318.256 Da
• Monoisotopic Mass: 318.256 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 288.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

Domande frequenti

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 2764-91-2, the molecular formula is C21H34O2, and the molecular weight is 318.49 g/mol. InChIKey GWOCLAPCXDOJRL-BQYQJAHWSA-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.