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Substance Name: Oxacyclohexadecan-2-one
RN: 106-02-5
UNII: OK17S3S98K
InChIKey: FKUPPRZPSYCDRS-UHFFFAOYSA-N

Note

  • Synthetic musk odor.

Molecular Formula

  • C15-H28-O2

Molecular Weight

  • 240.3842
 
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Names and Synonyms

Name of Substance

  • Exaltolide
  • Oxacyclohexadecan-2-one
  • Pentadecalactone

Synonyms

  • 1,15-Pentadecanolide
  • 14-Oxytetradecane carbonic acid lactone
  • 15-Hydroxypentadecanoic acid lactone
  • 15-Pentadecanolide
  • 2-Pentadecalone
  • AI3-30956
  • CCRIS 3682
  • Cyclopentadecanolide
  • EC 203-354-6
  • EINECS 203-354-6
  • Exaltolide
  • FEMA No. 2840
  • Muskalactone
  • Muskolactone
  • NSC 36763
  • Oxacyclohexadecan-2-one
  • Pentadecalactone
  • Pentadecanoic acid, 15-hydroxy-, xi-lactone
  • Pentadecanolactone
  • Pentadecanolide
  • Pentalide
  • Thibetolide
  • UNII-OK17S3S98K

Systematic Names

  • 15-Hydroxypentadecanoic acid-epsilon-lactone
  • Oxacyclohexadecan-2-one
  • Pentadecan-15-olide
  • Pentadecanoic acid, 15-hydroxy-, xi-lactone (6CI,7CI)

Superlist Name

  • omega-Pentadecalactone

Registry Numbers

CAS Registry Number

  • 106-02-5

FDA UNII

  • OK17S3S98K

Other Registry Number

  • 81031-90-5

System Generated Number

  • 0000106025

Structure Descriptors

InChI

1S/C15H28O2/c16-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-17-15/h1-14H2

InChIKey

FKUPPRZPSYCDRS-UHFFFAOYSA-N

Smiles

C1CCCCCCCOC(=O)CCCCCC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 13, Pg. 787, 1975.
rat LD50 oral > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 13, Pg. 787, 1975.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 32 deg C   EXP
log P (octanol-water) 6.150 (none)   EST
Atmospheric OH Rate Constant 1.92E-11 cm3/molecule-sec 25 EST

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