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Basic Information
CAS No.: 73507-41-2
Name: 1-(1,1-Dimethylethyl)-2-methoxy-4-methylbenzene nitrated
Molecular Structure:
Molecular Structure of 73507-41-2 (1-(1,1-Dimethylethyl)-2-methoxy-4-methylbenzene nitrated)
Formula: C12H16N2O5
Molecular Weight: 268.27
Synonyms: 2-Methoxy-4-methyl-1-(2-methyl-2-propanyl)-3,5-dinitrobenzene;1-(1,1-Dimethylethyl)-2-methoxy-4-methylbenzene nitrated;
EINECS: 201-493-7
Density: 1.219 g/cm3
Melting Point: 84-86 °C
Boiling Point: 369.316 °C at 760 mmHg
Flash Point: 149.629 °C
Appearance: Light yellow crystal
Risk Codes: R20/21/22; R36/37/38
PSA: 100.87000
LogP: 4.16390
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    Jiaxing Barton Chemicals Inc is a leading pine chemical products supplier in China, annual sales more than $15 million. supply pine chemicals, essential oils, fragrance & flavor us

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  • 1-(1,1-Dimethylethyl)-2-methoxy-4-methylbenzene nitrated

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    73507-41-2

    1-(1,1-Dimethylethyl)-2-methoxy-4-methylbenzene nitrated

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Specification

The Benzene,1-(1,1-dimethylethyl)-2-methoxy-4-methyl-, nitrated, with the CAS registry number 73507-41-2, is also known as 1-(1,1-Dimethylethyl)-2-methoxy-4-methylbenzene nitrated. This chemical's molecular formula is C12H16N2O5 and molecular weight is 268.27. What's more, its systematic name is 2-Methoxy-4-methyl-1-(2-methyl-2-propanyl)-3,5-dinitrobenzene. Its classification code is TSCA UVCB. This chemical is the most common one of man-made nitro-musk used as modifiers or with mixture, and is also a good setting spray and heavy flavor in the sweet flavor for the main component, particularly where there is a toner of incense and soap flavor.

Physical properties of Benzene,1-(1,1-dimethylethyl)-2-methoxy-4-methyl-, nitrated are: (1)ACD/LogP: 4.039; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.04; (4)ACD/LogD (pH 7.4): 4.04; (5)ACD/BCF (pH 5.5): 691.83; (6)ACD/BCF (pH 7.4): 691.83; (7)ACD/KOC (pH 5.5): 3753.81; (8)ACD/KOC (pH 7.4): 3753.81; (9)#H bond acceptors: 7; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 100.87 Å2; (13)Index of Refraction: 1.542; (14)Molar Refractivity: 69.235 cm3; (15)Molar Volume: 220.082 cm3; (16)Polarizability: 27.447×10-24cm3; (17)Surface Tension: 42.0970001220703 dyne/cm; (18)Density: 1.219 g/cm3; (19)Flash Point: 149.629 °C; (20)Enthalpy of Vaporization: 59.187 kJ/mol; (21)Boiling Point: 369.316 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1c(c(cc(c1OC)C(C)(C)C)[N+]([O-])=O)C
(2)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
(3)Std. InChIKey: SUAUILGSCPYJCS-UHFFFAOYSA-N