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| Name |
4-tert-Butyl-2,6-dinitro-3-methoxytoluene |
EINECS | 201-493-7 |
| CAS No. | 83-66-9 | Density | 1.218 g/cm3 |
| PSA | 100.87000 | LogP | 4.16390 |
| Solubility | Insoluble in water | Melting Point |
84-86 °C |
| Formula | C12H16N2O5 | Boiling Point | 369.3 °C at 760 mmHg |
| Molecular Weight | 268.269 | Flash Point | 149.6 °C |
| Transport Information | N/A | Appearance | pale yellow liquid |
| Safety | 26-36/37/39 | Risk Codes | 20/21/22-36/37/38 |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Anisole,6-tert-butyl-3-methyl-2,4-dinitro- (6CI,7CI,8CI);2,6-Dinitro-3-methoxy-4-tert-butyltoluene;2,6-Dinitro-3-methoxy-4-tetra-butyltoluene;4-tert-Butyl-3-methoxy-2,6-dinitrotoluene;6-tert-Butyl-3-methyl-2,4-dinitroanisole;Amber musk;Ambrette musk;Artificialmusk ambrette;Musk ambrette;Musk ambrette (artificial);NSC 46122;NSC 59845;Synthetic musk ambrette;6-tert-Butyl-3-methyl-2,4-dinitro anisole; |
Article Data | 16 |
4-tert-Butyl-2,6-dinitro-3-methoxytoluene Chemical Properties
IUPAC Name: 1-tert-Butyl-2-methoxy-4-methyl-3,5-dinitrobenzene
Synonyms of 6-tert-Butyl-3-methyl-2,4-dinitro anisole (CAS NO. 83-66-9): 4-tert-Butyl-3-methoxy-2,6-dinitrotoluene ; 1-(tert-Butyl)-2-methoxy-4-methyl-3,5-dinitrobenzene ; Musk amberette
Molecular Structure: 
Molecular Formula: C12H16N2O5
Molecular Weight: 268.27
CAS NO: 83-66-9
EINECS: 201-493-7
FEMA : 2758
Mol File: 83-66-9.mol
H bond acceptors: 7
H bond donors: 0
Freely Rotating Bonds: 4
Polar Surface Area: 100.87 Å2
Index of Refraction: 1.541
Molar Refractivity: 69.23 cm3
Surface Tension: 42 dyne/cm
Density: 1.218 g/cm3
Flash Point: 149.6 °C
Enthalpy of Vaporization: 59.19 kJ/mol
Boiling Point: 369.3 °C at 760 mmHg
Vapour Pressure: 2.54E-05 mmHg at 25°C
Melting Point: 84-86°C
Appearance: Pale yellow liquid
Solubility: Insoluble in water
Product Categories of 6-tert-Butyl-3-methyl-2,4-dinitro anisole (CAS NO. 83-66-9): Organics
SMILES: [O-][N+](=O)c1c(c(cc(c1OC)C(C)(C)C)[N+]([O-])=O)C
InChI: InChI=1/C12H16N2O5/c1-7-9(13(15)16)6-8(12(2,3)4)11(19-5)10(7)14(17)18/h6H,1-5H3
InChIKey: SUAUILGSCPYJCS-UHFFFAOYAG
Std. InChI: InChI=1S/C12H16N2O5/c1-7-9(13(15)16)6-8(12(2,3)4)11(19-5)10(7)14(17)18/h6H,1-5H3
Std. InChIKey: SUAUILGSCPYJCS-UHFFFAOYSA-N
4-tert-Butyl-2,6-dinitro-3-methoxytoluene Uses
6-tert-Butyl-3-methyl-2,4-dinitro anisole (CAS NO. 83-66-9) is mainly used for the preparation of a variety of spices and fixative in essence, especially for high-level fragrance. Increases amount in some of these products as follows: 0.03-0.2% of soap, detergent 0.003-0.02, perfume 0.2-2.0%, 0.01-0.07% balm and lotion.
4-tert-Butyl-2,6-dinitro-3-methoxytoluene Production
M-Cresol as raw material, dimethyl sulfate methylation, generating M-Creso ether, and then,the reaction of M-Creso ether with isobutene or tert-butyl alcohol tert-butyl-methoxy-toluene, the last 6-tert-Butyl-3-methyl-2,4-dinitro anisole (CAS NO. 83-66-9) is derived by the nitration .
4-tert-Butyl-2,6-dinitro-3-methoxytoluene Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rabbit | LD50 | skin | > 2gm/kg (2000mg/kg) | Food and Cosmetics Toxicology. Vol. 13, Pg. 875, 1975. | |
| rat | LD50 | oral | 339mg/kg (339mg/kg) | LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION SKIN AND APPENDAGES (SKIN): HAIR: OTHER | Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964. |
4-tert-Butyl-2,6-dinitro-3-methoxytoluene Consensus Reports
Reported in EPA TSCA Inventory.
4-tert-Butyl-2,6-dinitro-3-methoxytoluene Safety Profile
Risk Statements: 20/21/22-36/37/38
R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.
RIDADR: 2811
RTECS: BZ8575000
A poison by ingestion. Mutation data reported. A skin irritant. When heated to decomposition it emits toxic fumes of NOx. See also AROMATIC AMINES.
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