5-Methyl-1-tetralone
5-Methyl-1-tetralone structure
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Common Name | 5-Methyl-1-tetralone | ||
|---|---|---|---|---|
| CAS Number | 6939-35-1 | Molecular Weight | 160.212 | |
| Density | 1.1±0.1 g/cm3 | Boiling Point | 289.9±25.0 °C at 760 mmHg | |
| Molecular Formula | C11H12O | Melting Point | 87-91ºC(lit.) | |
| MSDS | N/A | Flash Point | 122.7±18.1 °C | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 5-methoxy-1-tetralone |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.1±0.1 g/cm3 |
|---|---|
| Boiling Point | 289.9±25.0 °C at 760 mmHg |
| Melting Point | 87-91ºC(lit.) |
| Molecular Formula | C11H12O |
| Molecular Weight | 160.212 |
| Flash Point | 122.7±18.1 °C |
| Exact Mass | 160.088821 |
| PSA | 17.07000 |
| LogP | 3.07 |
| Vapour Pressure | 0.0±0.6 mmHg at 25°C |
| Index of Refraction | 1.557 |
| InChIKey | ZYBCYRGGMARDQI-UHFFFAOYSA-N |
| SMILES | Cc1cccc2c1CCCC2=O |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Safety Phrases | 22-24/25 |
|---|---|
| HS Code | 2914399090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 9 | |
|---|---|
| DownStream 4 | |
CAS#:6943-79-9
CAS#:859809-70-4
CAS#:594-27-4
CAS#:144464-63-1
CAS#:144464-64-2
CAS#:36626-29-6
CAS#:104665-67-0
CAS#:2809-64-5
CAS#:83587-90-0
CAS#:21646-18-4
CAS#:23203-37-4
CAS#:6337-29-7This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2914399090 |
|---|---|
| Summary | 2914399090. other aromatic ketones without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
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|
Name: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id: ADAM17_INH_QFRET_1536_1X%INH PRUN
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Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
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Name: qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
Source: NCGC
Target: TDP1 protein [Homo sapiens]
External Id: TDP1100
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Name: qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
Source: NCGC
Target: TDP1 protein [Homo sapiens]
External Id: TDP1101
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Name: Schnurri-3 Inhibitors: specific inducers of adult bone formation Measured in Cell-Bas...
Source: Broad Institute
Target: N/A
External Id: 2134-01_Inhibitor_SinglePoint_HTS_Activity_Set2
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Name: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect...
Source: Broad Institute
Target: N/A
External Id: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity
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Name: High throughput screen for small molecule inhibitors of a hypoxia-regulated fluoresce...
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: N/A
External Id: HMS1149-MLP
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Name: qHTS for Inhibitors of AMA1-RON; Towards Development of Antimalarial Drug Lead: Prima...
Source: NCGC
Target: apical membrane antigen 1, AMA1 [Plasmodium falciparum 3D7]
External Id: AMA1100
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|
Name: Fluorescence polarization-based biochemical high throughput primary assay to identify...
Source: The Scripps Research Institute Molecular Screening Center
Target: abhydrolase domain-containing protein 4 isoform 1 [Mus musculus]
External Id: ABHD4_INH_FP_1536_1X%INH PRUN
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 5-Methyl-3,4-dihydro-1(2H)-naphthalenone |
| 5-Methyl-1-tetralone |
| Einecs 230-073-6 |
| 5-Methyl-1,2,3,4-tetrahydronaphthalin-1-on |
| 5-Methyl-3,4-dihydro-2H-naphthalin-1-on |
| 5-Methyl-3,4-dihydronaphthalen-1(2H)-one |
| 5-methyltetralone |
| 5-Methyltetralin-1-one |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the molecular formula of 5-methoxy-1-tetralone? |
| A: Molecular formula of 5-methoxy-1-tetralone is C11H12O. |
| Q: What is the InChIKey of 5-methoxy-1-tetralone? |
| A: InChIKey of 5-methoxy-1-tetralone is ZYBCYRGGMARDQI-UHFFFAOYSA-N. |
| Q: What is the safety information for 5-methoxy-1-tetralone? |
| A: Safety information for 5-methoxy-1-tetralone: 22-24/25. |
| Q: What is the SMILES notation of 5-methoxy-1-tetralone? |
| A: SMILES notation of 5-methoxy-1-tetralone is Cc1cccc2c1CCCC2=O. |
| Q: What are the downstream products of 5-methoxy-1-tetralone? |
| A: Related downstream products(CAS) of 5-methoxy-1-tetralone: 21646-18-4;23203-37-4;2809-64-5;6337-29-7. |
| Q: What are the upstream materials of 5-methoxy-1-tetralone? |
| A: Related upstream materials(CAS) of 5-methoxy-1-tetralone: 6943-79-9;859809-70-4;594-27-4;144464-63-1;144464-64-2;36626-29-6;104665-67-0;2809-64-5;83587-90-0. |
| Q: What is the polar surface area (PSA) of 5-methoxy-1-tetralone? |
| A: Polar surface area (PSA) of 5-methoxy-1-tetralone is 17.07000. |
| Q: What is the melting point of 5-methoxy-1-tetralone? |
| A: Melting point of 5-methoxy-1-tetralone is 87-91ºC(lit.). |
| Q: What is the English name of 5-methoxy-1-tetralone? |
| A: The English name of 5-methoxy-1-tetralone is 5-methoxy-1-tetralone. |
| Q: What is the CAS number of 5-methoxy-1-tetralone? |
| A: CAS number of 5-methoxy-1-tetralone is 6939-35-1. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |