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541-91-3

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

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    541-91-3 CAS NO.541-91-3

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  • Muscone Cas no.541-91-3 98%

  • Casno:

    541-91-3

    Muscone Cas no.541-91-3 98%

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  • TIANFU-CHEM  -  3-Methylcyclopentadecanone

  • Casno:

    541-91-3

    TIANFU-CHEM - 3-Methylcyclopentadecanone

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    Business Type:Trading Company

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  • Cyclopentadecanone,3-methyl-

  • Casno:

    541-91-3

    Cyclopentadecanone,3-methyl-

    Min.Order: 0

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  • Cyclopentadecanone,3-methyl-

  • Casno:

    541-91-3

    Cyclopentadecanone,3-methyl-

    Min.Order: 0

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  • Muskone

  • Casno:

    541-91-3

    Muskone

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    high purity lowest priceAppearance:solid or liquid Storage:in sealed air resistant place Package:drum and bag Application:for pharma use Transportation:by sea or air Port:Beijing or Guangzhou

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    Tel:86-29-86107037-8015

    Address:No.11 Daqing Road,Lianhu District,Xi’an 710082,China

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Consensus Reports

Reported in EPA TSCA Inventory.

Standards and Recommendations

DOT Classification:  3; Label: Flammable Liquid

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.