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Substance Name: Muskone
RN: 541-91-3
UNII: 5JO79R7S9R
InChIKey: ALHUZKCOMYUFRB-UHFFFAOYSA-N

Classification Codes

  • Natural Product
  • Skin / Eye Irritant

Molecular Formula

  • C16-H30-O

Molecular Weight

  • 238.412
 
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Names and Synonyms

Name of Substance

  • Muscone
  • Muskone

Synonyms

  • 3-Methyl-1-cyclopentadecanone
  • 3-Methylcyclopentadecanone
  • 5-Methyl-1-cyclopentadecanone
  • AI3-38746
  • Cyclopentadecanone, 3-methyl-
  • EINECS 208-795-8
  • FEMA No. 3434
  • HSDB 1219
  • Methylexaltone
  • Moschus ketone
  • Muscone
  • Muskone
  • UNII-5JO79R7S9R

Systematic Names

  • 3-Methylcyclopentadecan-1-one
  • Cyclopentadecanone, 3-methyl-

Superlist Name

  • 3-Methylcyclopentadecanone, dl-

Registry Numbers

CAS Registry Number

  • 541-91-3

FDA UNII

  • 5JO79R7S9R

Other Registry Numbers

  • 22460-48-6
  • 956-82-1

System Generated Number

  • 0000541913

Structure Descriptors

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

InChIKey

ALHUZKCOMYUFRB-UHFFFAOYSA-N

Smiles

C1[C@@H](CCCCCCCCCCCCC1=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 270mg/kg (270mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)
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.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 329 deg C   EXP
log P (octanol-water) 5.960 (none)   EST
Atmospheric OH Rate Constant 2.98E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.