28645-51-4

Name AMBRETTOLIDE
CAS 28645-51-4
EINECS(EC#) 249-120-7
Molecular Formula C16H28O2
MDL Number MFCD00022326
Molecular Weight 252.39
MOL File 28645-51-4.mol
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Chemical Properties

Boiling point  185-190 °C16 mm Hg(lit.)
density  0.956 g/mL at 25 °C(lit.)
vapor pressure  0.003Pa at 25℃
FEMA  4145 | ISOAMBRETTOLIDE
refractive index  n20/D 1.479(lit.)
Fp  >230 °F
storage temp.  Refrigerator
solubility  Chloroform (Sparingly), Methanol (Sparingly)
form  Oil
color  Clear Colorless
Odor at 10.00 % in dipropylene glycol. sweet musk ambrette fruity waxy fatty
Odor Type musk
Water Solubility  15μg/L at 25℃
JECFA Number 1991
Henry's Law Constant 2.5×100 mol/(m3Pa) at 25℃, Dupeux et al. (2022)
Major Application flavors and fragrances
Cosmetics Ingredients Functions PERFUMING
InChI 1S/C16H28O2/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-18-16/h1,3H,2,4-15H2/b3-1-
InChIKey QILMAYXCYBTEDM-IWQZZHSRSA-N
SMILES O1CCCCCC\C=C/CCCCCCCC1=O
LogP 6.7 at 23℃
EPA Substance Registry System Oxacycloheptadec-10-en-2-one (28645-51-4)
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Safety Data

Symbol(GHS)  Environment (GHS09)
GHS09
Signal word  Warning
Hazard statements  H410
Precautionary statements  P273-P391-P501
Hazard Codes  Xi
Risk Statements 
Safety Statements 
WGK Germany  2
TSCA  TSCA listed
REACH Registrations Active
Storage Class 10 - Combustible liquids
Toxicity
Both the acute oral LD50 value in rats and the acute dermal LD50 value in rabbits exceeded 5 g/kg(Wohl, 1974).

Hazard Information

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