5,8-Dimethoxy-1-tetralone , CAS No.1015-55-0

CAS: 1015-55-0 Cat. No.: D355507 Formula: C₁₂H₁₄O₃ Peso molecolare: 206.24

Synonyms

DTXSID20143968 | 5,8-Dimethoxy-1-tetralone, 99% | EINECS 213-803-8 | NCIOpen2_007286 | VAMWBRIIBYQTGS-UHFFFAOYSA-N | MFCD03701612 | NSC 103559 | BAA01555 | 3,4-Dihydro-5,8-dimethoxynaphthalen-1(2H)-one | 5,8-Dimethoxy-1-tetralone | SCHEMBL1274261 | 5,8-Di

Storage

Room temperature

Shipped In

Normal

Specifiche

Sinonimi

DTXSID20143968 | 5,8-Dimethoxy-1-tetralone, 99% | EINECS 213-803-8 | NCIOpen2_007286 | VAMWBRIIBYQTGS-UHFFFAOYSA-N | MFCD03701612 | NSC 103559 | BAA01555 | 3,4-Dihydro-5,8-dimethoxynaphthalen-1(2H)-one | 5,8-Dimethoxy-1-tetralone | SCHEMBL1274261 | 5,8-Di

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Nomi e identificatori

Sorrisi canonici

COC1=C2CCCC(=O)C2=C(C=C1)OC

IUPAC Name

5,8-dimethoxy-3,4-dihydro-2H-naphthalen-1-one

InChIKey

VAMWBRIIBYQTGS-UHFFFAOYSA-N

INCHI

1S/C12H14O3/c1-14-10-6-7-11(15-2)12-8(10)4-3-5-9(12)13/h6-7H,3-5H2,1-2H3

Isomeri SMILES

COC1=C2CCCC(=O)C2=C(C=C1)OC

WGK Germania

3

Peso molecolare

206.24

Reaxy-Rn

1962567

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1962567&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Tetralins

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Tetralins
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetralins
• Alternative Parents: Aryl alkyl ketones Anisoles Alkyl aryl ethers Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Tetralin - Aryl alkyl ketone - Aryl ketone - Anisole - Alkyl aryl ether - Ketone - Ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane.
• 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 fusione (°C): 59-63° C
• Peso molecolare: 206.240 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 206.094 Da
• Monoisotopic Mass: 206.094 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 239.000
• 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

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 1015-55-0, the molecular formula is C12H14O3, and the molecular weight is 206.24 g/mol. InChIKey VAMWBRIIBYQTGS-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.