3-Methylcyclopentadecanone supplier

Name
Muscone
EINECS 208-795-8
CAS No. 541-91-3
Density 0.843 g/cm³
Solubility 430μg/L at 20℃
Melting Point 33oC
Formula C₁₆H₃₀O
Boiling Point 329.5 °C at 760 mmHg
Molecular Weight 238.41
Flash Point 145.3 °C
Transport Information
Appearance white to yellowish semi-solid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Muscone(6CI);Moschus ketone;Muskone;dl-Muscone;
PSA 17.07000
LogP 5.27650

3-Methylcyclopentadecanone Consensus Reports

Reported in EPA TSCA Inventory.

3-Methylcyclopentadecanone Standards and Recommendations

DOT Classification: 3; Label: Flammable Liquid

3-Methylcyclopentadecanone Specification

The systematic name of this chemical is 3-Methylcyclopentadecanone. With the CAS registry number 541-91-3 and EINECS registry number 208-795-8, it is also named as muscone. In addition, the molecular formula is C₁₆H₃₀O and the molecular weight is 238.41. It can be used as a fixative agent.

Physical properties about this chemical are: (1)ACD/LogP: 6.33; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.33; (4)ACD/LogD (pH 7.4): 6.33; (5)ACD/BCF (pH 5.5): 38273.45; (6)ACD/BCF (pH 7.4): 38273.45; (7)ACD/KOC (pH 5.5): 66377.59; (8)ACD/KOC (pH 7.4): 66377.59; (9)#H bond acceptors: 1; (10)Polar Surface Area: 17.07 Å²; (11)Index of Refraction: 1.436; (12)Molar Refractivity: 74.01 cm³; (13)Molar Volume: 282.5 cm³; (14)Polarizability: 29.34 ×10^-24cm³; (15)Surface Tension: 27 dyne/cm; (16)Density: 0.843 g/cm³; (17)Flash Point: 145.3 °C; (18)Enthalpy of Vaporization: 57.2 kJ/mol; (19)Boiling Point: 329.5 °C at 760 mmHg; (20)Vapour Pressure: 0.000176 mmHg at 25°C.

Preparation of 3-Methylcyclopentadecanone: it can be prepared by dodeca-1,5,9-triene. You should know that the dodeca-1,5,9-triene can be obtained from butadiene. Then dodeca-1,5,9-triene can go through hydrogenation and oxidation reaction to give cyclododecone. And the cyclododecone can go through a series of steps to give the desired product.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1CC(CCCCCCCCCCCC1)C
(2)Std.InChI: InChI=1S/C16H30O/c1-15-12-10-8-6-4-2-3-5-7-9-11-13-16(17)14-15/h15H,2-14H2,1H3
(3)Std.InChIKey: ALHUZKCOMYUFRB-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	270mg/kg (270mg/kg)	BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES	Zhongcaoyao. Chinese Traditional and Herbal Medicine. Vol. 12, Pg. 236, 1981.
mouse	LD50	intravenous	152mg/kg (152mg/kg)		Zhongcaoyao. Chinese Traditional and Herbal Medicine. Vol. 12, Pg. 236, 1981.
rabbit	LD50	skin	> 5gm/kg (5000mg/kg)		Food and Chemical Toxicology. Vol. 20, Pg. 749, 1982.
rat	LD50	oral	> 5gm/kg (5000mg/kg)		Food and Chemical Toxicology. Vol. 20, Pg. 749, 1982.

Product Name

Muscone

3-Methylcyclopentadecanone Consensus Reports

3-Methylcyclopentadecanone Standards and Recommendations

3-Methylcyclopentadecanone Specification

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