CAS No.3661-77-6,Cycloheptadecanone Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3661-77-6
Name:	Cycloheptadecanone
Article Data:	23

Formula:	C₁₇H₃₂O
Molecular Weight:	252.44
Synonyms:	Civetone,dihydro-;Dihydrocivetone;
Density:	0.846 g/cm³
Boiling Point:	350.4 °C at 760 mmHg
Flash Point:	157.9 °C
PSA:	17.07000
LogP:	5.81070

Synthetic route

: 98221-89-7
2-hydroxy-cycloheptadecanone

: 3661-77-6
cycloheptadecanone

Conditions

Conditions	Yield
With hydrogenchloride; zinc In 1,4-dioxane; water at 95 - 100℃; for 17h;	80%
With hydrogenchloride; zinc In 1,4-dioxane
Multi-step reaction with 2 steps 1: N2H4, NaOH / bis-(2-hydroxy-ethyl) ether / 210 °C 2: CrO3, aq. H2SO4 View Scheme

: 74244-64-7
cycloheptadec-9-en-1-one

: 3661-77-6
cycloheptadecanone

Conditions

Conditions	Yield
With 5%-palladium/activated carbon; hydrogen In ethanol at 20℃;	60%
With palladium on activated charcoal; hydrogen In ethyl acetate at 20℃; under 760.051 Torr; for 16h; Schlenk technique; Glovebox;	52%
With ethanol; colloid; palladium Hydrogenation;
Multi-step reaction with 2 steps 1: platinum black; glacial acetic acid / Hydrogenation 2: benzene; Cr2O3-H2SO4 View Scheme
Multi-step reaction with 3 steps 1: sodium; alcohol 2: platinum black; glacial acetic acid / Hydrogenation 3: benzene; Cr2O3-H2SO4 View Scheme

: 7735-45-7
1,16-dicyanododecane

A: 3661-77-6
cycloheptadecanone

B: cyclotetratriacontane-1,18-dione

Conditions

Conditions	Yield
With etheric solution; lithium N-ethyl-N-phenylamide Erhitzen des Reaktionsprodukts mit 70prozentig. wss. Schwefelsaeure;

: 871-70-5
octadecanedioic acid

: 3661-77-6
cycloheptadecanone

Conditions

Conditions	Yield
With thionyl chloride; benzene anschl. mit Triaethylamin in Benzol bei 40grad;

: 542-46-1
(Z)-civetone

: 3661-77-6
cycloheptadecanone

Conditions

Conditions	Yield
With ethanol; platinum
With acetic acid; platinum
With diethyl ether; platinum Hydrogenation;

: 4429-77-0
cycloheptadecanol

: 3661-77-6
cycloheptadecanone

Conditions

Conditions	Yield
With chromium(III) oxide; sulfuric acid; benzene
With chromium(VI) oxide; sulfuric acid

: 1502-37-0
trans-9-Cycloheptadecen-1-one

: 3661-77-6
cycloheptadecanone

Conditions

Conditions	Yield
With diethyl ether; platinum Hydrogenation;
With ethanol; platinum
With acetic acid; platinum

: 60-29-7
diethyl ether

: 7735-45-7
1,16-dicyanododecane

lithium ethylanilide: lithium ethylanilide

A: 3661-77-6
cycloheptadecanone

B: cyclotetratriacontane-1,18-dione

Conditions

Conditions	Yield
und Kochen des Reaktionsprodukts mit 70prozentiger H2SO4;

...Expand

(+-)-2-imino-cycloheptadecane-carbonitrile-(1): (+-)-2-imino-cycloheptadecane-carbonitrile-(1)

: 3661-77-6
cycloheptadecanone

Conditions

Conditions	Yield
With sulfuric acid

thorium salt of/the/ hexadecane-dicarboxylic acid-(1.16): thorium salt of/the/ hexadecane-dicarboxylic acid-(1.16)

: 3661-77-6
cycloheptadecanone

Conditions

Conditions	Yield
at 350 - 400℃; under 30 - 40 Torr; Thermolysis;
With iron at 350 - 400℃; under 30 - 40 Torr; Thermolysis;
With copper at 350 - 400℃; under 30 - 40 Torr; Thermolysis;

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Specification

The Cycloheptadecanone is an organic compound with the formula C₁₇H₃₂O. The IUPAC name of this chemical is cycloheptadecanone. With the CAS registry number 3661-77-6, it is also named as Civetone, dihydro-.

Physical properties about Cycloheptadecanone are: (1)ACD/LogP: 6.97; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.97; (4)ACD/LogD (pH 7.4): 6.97; (5)ACD/BCF (pH 5.5): 116580.8; (6)ACD/BCF (pH 7.4): 116580.8; (7)ACD/KOC (pH 5.5): 147322.69; (8)ACD/KOC (pH 7.4): 147322.69; (9)#H bond acceptors: 1; (10)Polar Surface Area: 17.07 Å²; (11)Index of Refraction: 1.439; (12)Molar Refractivity: 78.52 cm³; (13)Molar Volume: 298 cm³; (14)Polarizability: 31.13×10^-24cm³; (15)Surface Tension: 28.1 dyne/cm; (16)Density: 0.846 g/cm³; (17)Flash Point: 157.9 °C; (18)Enthalpy of Vaporization: 59.5 kJ/mol; (19)Boiling Point: 350.4 °C at 760 mmHg; (20)Vapour Pressure: 4.4E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1CCCCCCCCCCCCCCCC1
(2)InChI: InChI=1/C17H32O/c18-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-17/h1-16H2
(3)InChIKey: KBQDZEMXPBDNGH-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C17H32O/c18-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-17/h1-16H2
(5)Std. InChIKey: KBQDZEMXPBDNGH-UHFFFAOYSA-N