CAS Number81-14-1
SynonymsKETONE MOSCHUS; 4-acetyl-1-tert-butyl-3,5-dimethyl-2-nitro-6-aminobenzene; 2-acetyl-5-tert-butyl-4,6-dinitroxylene; 3-METHYLCYCLOPENTADECANONE (D,L-MUSCONE); EINECS 201-328-9; 1-tert-butyl-3,5-dimethyl-2,6-dinitro-4-acetylbenzene; MOSCHUS; 1-(4-tert-butyl-2,6-dimethyl-3,5-dinitrophenyl)ethanone; Ketone musk; 1-(4-tert-butyl-2,6-dimethyl-3,5-dinitrophenyl)ethanon; Dinitro-tert-butylxylyl methyl ketone; MOSCHUS KETON; Musk ketone; MFCD00024271; Acetyl-dinitro-butyl-xylene; 1-[2,6-Dimethyl-4-(2-methyl-2-propanyl)-3,5-dinitrophenyl]ethanone
Molecular FormulaC14H18N2O5
Molecular Weight294.31
Purity98.00%
Density1.2±0.1 g/cm3
Boiling Point369.0±42.0 °C at 760 mmHg
Melting Point135-139 °C(lit.)
AppearanceWhite to light yellow crystal powder
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 81-14-1 |
| Catalog No. | 2A-9017334 |
| Chinese Name | 酮麝香 |
| Synonyms | KETONE MOSCHUS; 4-acetyl-1-tert-butyl-3,5-dimethyl-2-nitro-6-aminobenzene; 2-acetyl-5-tert-butyl-4,6-dinitroxylene; 3-METHYLCYCLOPENTADECANONE (D,L-MUSCONE); EINECS 201-328-9; 1-tert-butyl-3,5-dimethyl-2,6-dinitro-4-acetylbenzene; MOSCHUS; 1-(4-tert-butyl-2,6-dimethyl-3,5-dinitrophenyl)ethanone; Ketone musk; 1-(4-tert-butyl-2,6-dimethyl-3,5-dinitrophenyl)ethanon; Dinitro-tert-butylxylyl methyl ketone; MOSCHUS KETON; Musk ketone; MFCD00024271; Acetyl-dinitro-butyl-xylene; 1-[2,6-Dimethyl-4-(2-methyl-2-propanyl)-3,5-dinitrophenyl]ethanone |
| Molecular Formula | C14H18N2O5 |
| Molecular Weight | 294.31 |
| Purity | 98.00 |
| Density | 1.2±0.1 g/cm3 |
| Boiling Point | 369.0±42.0 °C at 760 mmHg |
| Melting Point | 135-139 °C(lit.) |
| Appearance | White to light yellow crystal powder |
| Water Solubility | Insoluble ( |
| Storage Condition | Use galvanized iron drum or paper drum. |
| Application | Musk ketone (MK) is a widely used artificial flavor. Muskone has mutagenic and co-mutagenic effects on Hep G2 cells, and induces neural stem cell proliferation and differentiation during cerebral isch |
| MDL Number | MFCD00024271 |
| SMILES | CC(=O)c1c(C)c([N+](=O)[O-])c(C(C)(C)C)c([N+](=O)[O-])c1C |
| InChI | InChI=1S/C14H18N2O5/c1-7-10(9(3)17)8(2)13(16(20)21)11(14(4,5)6)12(7)15(18)19/h1-6H3 |
| InChI Key | WXCMHFPAUCOJIG-UHFFFAOYSA-N |
| Hazard Symbols | 3.0 |
| MSDS | msds/17334_1_81_14_1.pdf |
| Bioactivity | Musk ketone (MK) is a widely used artificial fragrance. Musk ketone shows mutagenic and comutagenic effects in Hep G2 cells and induces neural stem cell proliferation and differentiation in cerebral ischemia via activation of the PI3K/Akt signaling pathway. In the brain, musk ketone is neuroprotective against stroke injury through inhibition of cell apoptosis[1][2][3]. Related Catalog Signaling Pathways >> Apoptosis >> Apoptosis Signaling Pathways >> PI3K/Akt/mTOR >> PI3K Signaling Pathways >> PI3K/Akt/mTOR >> Akt Research Areas >> Neurological Disease References [1]. Yamagishi T, et al. Identification of musk xylene and musk ketone in freshwater fish collected from the Tama River, Tokyo. Bull Environ Contam Toxicol. 1981 May;26(5):656-62. [2]. Mersch-Sundermann V, et al. Musk ketone enhances benzo(a)pyrene induced mutagenicity in human derived Hep G2 cells. Mutat Res. 2001 Aug 22;495(1-2):89-96. [3]. Zhou Z, et al. Musk Ketone Induces Neural Stem Cell Proliferation and Differentiation in Cerebral Ischemia via Activation of the PI3K/Akt Signaling Pathway. Neuroscience. 2020 May 21;435:1-9. Chemical & Physical Properties Density 1.2±0.1 g/cm3 Boiling Point 369.0±42.0 °C at 760 mmHg Melting Point 135-139 °C(lit.) Molecular Formula C14H18N2O5 Molecular Weight 294.30 Flash Point 153.2±20.7 °C Exact Mass 294.121582 PSA 108.71000 LogP 3.86 Vapour Pressure 0.0±0.8 mmHg at 25°C Index of Refraction 1.548 InChIKey WXCMHFPAUCOJIG-UHFFFAOYSA-N SMILES CC(=O)c1c(C)c([N+](=O)[O-])c(C(C)(C)C)c([N+](=O)[O-])c1C Stability Stable. Incompatible with strong oxidizing agents, strong acids, strong bases. Water Solubility Insoluble ( |
| Use of | Properties Articles37 Name musk ketone Synonym More Synonyms Musk ketone Biological Activity Related Catalog Signaling Pathways >> Apoptosis >> Apoptosis Signaling Pathways >> PI3K/Akt/mTOR >> PI3K Signaling Pathways >> PI3K/Akt/mTOR >> Akt Research Areas >> Neurological Disease References [1]. Yamagishi T, et al. Identification of musk xylene and musk ketone in freshwater fish collected from the Tama River, Tokyo. Bull Environ Contam Toxicol. 1981 May;26(5):656-62. [3]. Zhou Z, et al. Musk Ketone Induces Neural Stem Cell Proliferation and Differentiation in Cerebral Ischemia via Activation of the PI3K/Akt Signaling Pathway. Neuroscience. 2020 May 21;435:1-9. Chemical & Physical Properties Molecular Formula C14H18N2O5 Exact Mass 294.121582 PSA 108.71000 Index of Refraction 1.548 InChIKey WXCMHFPAUCOJIG-UHFFFAOYSA-N Stability Stable. Incompatible with strong oxidizing agents, strong acids, strong bases. Water Solubility Insoluble ( |
| Transport Info | Shipping Name: UN |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Land Transport Danger Regulations: 3077 International Maritime Transport Danger Regulations: 3077 International Air Transport Danger Regulations: 3077 14.2 United Nations shipping name European land transport hazard regulations: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, SOLID, N.O.S. (4'-tert-Butyl-2',6'- dimethyl-3',5'-dinitroacetophenone) IMDG: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, SOLID, N.O.S. (4'-tert-Butyl-2',6'- dimethyl-3',5'-dinitroacetophenone) International air transport hazard regulations: Environmentally hazardous substance, solid, n.o.s. (4'-tert-Butyl-2',6'-dimethyl-3',5'- dinitroacetophenone) 14.3 Transport hazard categories European land transport Dangerous Regulations: 9 International sea transport Dangerous Regulations: 9 International air transport Dangerous Regulations: 9 14.4 Package group European Land Transport Danger Regulations: III International Maritime Transport Danger Regulations: III International Air Transport Danger Regulations: III 14.5 Environmental hazards European Land Transport Dangerous Regulations: Yes International Maritime Transport Dangerous Regulations International Air Transport Dangerous Regulations: Yes Marine Pollutants (Yes/No): Yes 14.6 Special reminder to users further information Dangerous goods are individually packaged, with liquids exceeding 5 liters or solids exceeding 5 kilograms. The outer packaging of each independent package and the combined independent inner package must have EHS on it. Identification (according to European ADR Regulation 2.2.9.1.10, IMDG Regulation 2.10.3), |
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