CAS No.15547-17-8,6-ethyl-1,2,3,4-tetrahydroanthraquinone Suppliers

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Basic Information

Molecular Structure:
CAS No.:	15547-17-8
Name:	6-ethyl-1,2,3,4-tetrahydroanthraquinone
Article Data:	7

Formula:	C₁₆H₁₆O₂
Molecular Weight:	240.302
Synonyms:	Anthraquinone,6-ethyl-1,2,3,4-tetrahydro- (7CI,8CI);2-Ethyl-5,6,7,8-tetrahydroanthraquinone;
EINECS:	239-600-4
Density:	1.185 g/cm³
Boiling Point:	424.942 °C at 760 mmHg
Flash Point:	158.819 °C
PSA:	34.14000
LogP:	3.49860

Synthetic route

: 84-51-5
2-ethylanthraquinone

: 15547-17-8
6-ethyl-1,2,3,4-tetrahydroanthracene-9,10-dione

Conditions

Conditions	Yield
With hydrogen; silica-alumina support; palladium at 20 - 60℃; Rate constant; Mechanism; var. substrate concentration, catalyst amount and temp.;
With nickel Hydrogenation;
With hydrogen at 60℃; under 2250.23 Torr; Autoclave;

: 84-51-5
2-ethylanthraquinone

A: 286463-72-7
2-ethyl-9H-10-anthranone

B: 15547-17-8
6-ethyl-1,2,3,4-tetrahydroanthracene-9,10-dione

C: 76682-71-8
2-ethyl-10H-9-anthranone

Conditions

Conditions	Yield
With 2%Pd/Al2O3; hydrogen In 2,6-dimethyl-4-heptanol; para-xylene at 55℃; under 760.051 Torr; chemoselective reaction;

...Expand

: 84-51-5
2-ethylanthraquinone

A: 839-73-6
2-ethylanthracene-9,10-diol

B: 15547-17-8
6-ethyl-1,2,3,4-tetrahydroanthracene-9,10-dione

Conditions

Conditions	Yield
With hydrogen In 1,3,5-trimethyl-benzene at 60℃; under 2250.23 Torr; Reagent/catalyst;

: 15547-17-8
6-ethyl-1,2,3,4-tetrahydroanthracene-9,10-dione

: 68279-54-9
2-ethyl-5,6,7,8-tetrahydro-9,10-anthrahydroquinone

Conditions

Conditions	Yield
With hydrogen; Pd/Al2O3-SiO2 In ethanol at 39.84℃; under 750.075 Torr;

Raw Materials

84-51-5

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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

The 2-Ethyl-5,6,7,8-tetrahydroanthraquinone, with the CAS registry number 15547-17-8, is also known as 9,10-Anthracenedione, 6-ethyl-1,2,3,4-tetrahydro-. Its EINECS registry number is 239-600-4. This chemical's molecular formula is C₁₆H₁₆O₂ and molecular weight is 240.30. What's more, both its IUPAC name and systematic name are the same which is called 6-Ethyl-1,2,3,4-tetrahydroanthracene-9,10-dione.

Physical properties about 2-Ethyl-5,6,7,8-tetrahydroanthraquinone are: (1)ACD/LogP: 3.834; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.83; (4) ACD/LogD (pH 7.4): 3.83; (5)ACD/BCF (pH 5.5): 482.82; (6)ACD/BCF (pH 7.4): 482.82; (7)ACD/KOC (pH 5.5): 2901.73; (8)ACD/KOC (pH 7.4): 2901.73; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 34.14 Å²; (13)Index of Refraction: 1.592; (14)Molar Refractivity: 68.644 cm³; (15)Molar Volume: 202.807 cm³; (16)Polarizability: 27.213×10^-24cm³; (17)Surface Tension: 47.432 dyne/cm; (18)Density: 1.185 g/cm³; (19)Flash Point: 158.819 °C; (20)Enthalpy of Vaporization: 67.951 kJ/mol; (21)Boiling Point: 424.942 °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=C1\C3=C(/C(=O)c2c1cc(cc2)CC)CCCC3
(2) InChI: InChI=1S/C16H16O2/c1-2-10-7-8-13-14(9-10)16(18)12-6-4-3-5-11(12)15(13)17/h7-9H,2-6H2,1H3
(3) InChIKey: PXLXSNXYTNRKFR-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	200mg/kg (200mg/kg)		National Technical Information Service. Vol. AD277-689,