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Home> Encyclopedia >Organic Intermediate>Pharmaceutical Intermediates>Organic Intermediates
8-Methoxy-2-tetralone structure
8-Methoxy-2-tetralone structure

8-Methoxy-2-tetralone

Iupac Name:8-methoxy-3,4-dihydro-1H-naphthalen-2-one
CAS No.: 5309-19-3
Molecular Weight:176.215
Modify Date.: 2022-12-08 17:51
1. Names and Identifiers
1.1 Name
8-Methoxy-2-tetralone
1.2 Synonyms

2(1H)-NAPHTHALENONE, 3,4-DIHYDRO-8-METHOXY- 3,4-Dihydro-8-methoxynaphthalen-2(1H)-one 8M2T 8-METHOXY-3,4-DIHYDRO-1H-NAPHTHALEN-2-ONE 8-METHOXY-3,4-DIHYDRONAPHTHALEN-2(1H)-ONE

1.3 CAS No.
5309-19-3
1.4 CID
4136021
1.5 Molecular Formula
C11H12O2 (isomer)
1.6 Inchi
BTYBORAHYUCUMH-UHFFFAOYSA-N
1.7 InChkey
BTYBORAHYUCUMH-UHFFFAOYSA-N
1.8 Canonical Smiles
COC1=CC=CC2=C1CC(=O)CC2
1.9 Isomers Smiles
COC1=CC=CC2=C1CC(=O)CC2
2. Properties
2.1 Density
1.124±0.06 g/cm3(Predicted)
2.1 Melting point
48-55 °C (lit.)
2.1 Boiling point
130 °C(Press: 1 Torr)
2.1 Flash Point
>230?°F
3. Safety and Handling
3.1 Hazard Codes
Xn,Xi
3.1 Risk Statements
22
3.1 Safety Statements
26-36
3.1 WGK Germany
3
6. Other Information
6.0 Uses
8-methoxy-3,4-dihydronaphthalen-2(1h)-one is a useful research chemical.
7. Computational chemical data
  • Molecular Weight: 176.215g/mol
  • Molecular Formula: C11H12O2
  • Compound Is Canonicalized: True
  • XLogP3-AA: 1.6
  • Exact Mass: 176.083729621
  • Monoisotopic Mass: 176.083729621
  • Complexity: 200
  • Rotatable Bond Count: 1
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Topological Polar Surface Area: 26.3
  • Heavy Atom Count: 13
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count: 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Isotope Atom Count: 0
  • Covalently-Bonded Unit Count: 1
  • CACTVS Substructure Key Fingerprint: AAADccBwMAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAADBAAAAGgAAAAAADASAmAIyBoAABACIAqBSAAACCAAgIAAIiAEGCIgMJjKENRqAMCAkwBEIqAeKyLCOgAABAAAYAAAAAAIAADAAAAAAAAAAAA==
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