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Basic Description
| Synonyms | 1-Methyl-2-tetralone | MFCD00001728 | AKOS015912462 | ZB1757 | NSC 89281 | 1-Methyl-2-tetralone, technical grade, 90% | 1-methyl-3,4-dihydronaphthalen-2(1H)-one | 1,2,3,4-Tetrahydro-1-methylnaphthalen-2-one | A824999 | FT-0608053 | SCHEMBL948086 | 1-methy |
|---|---|
| Specifications & Purity | ≥90% |
| Shipped In | Normal |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
- Class Tetralins
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Superclass
Benzenoids
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Tetralins |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Tetralins |
| Alternative Parents | Cyclic ketones Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | Tetralin - Cyclic ketone - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homopolycyclic compound |
| Description | 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 |
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Names and Identifiers
| IUPAC Name | 1-methyl-3,4-dihydro-1H-naphthalen-2-one |
|---|---|
| INCHI | InChI=1S/C11H12O/c1-8-10-5-3-2-4-9(10)6-7-11(8)12/h2-5,8H,6-7H2,1H3 |
| InChIKey | VGZQKUJGVYFKBP-UHFFFAOYSA-N |
| Smiles | CC1C(=O)CCC2=CC=CC=C12 |
| Isomeric SMILES | CC1C(=O)CCC2=CC=CC=C12 |
| WGK Germany | 3 |
| Molecular Weight | 160.21 |
| Reaxy-Rn | 1945716 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1945716&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Flash Point(°F) | >235.4 °F |
|---|---|
| Flash Point(°C) | >113 °C |
| Molecular Weight | 160.210 g/mol |
| XLogP3 | 2.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 160.089 Da |
| Monoisotopic Mass | 160.089 Da |
| Topological Polar Surface Area | 17.100 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 185.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
Solution Calculators
Reviews
Customer Reviews
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