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cascalone (Firmenich)

Chemical Structure

General Material Information

Preferred name cascalone (Firmenich)
Trivial Name 7-(1-Methylethyl)-2H-1,5-benzodioxepin-3(4H)-one
Short Description 2H-1,5-benzodioxepin-3(4H)-one, 7-(1-methylethyl)-
Formula C12 H14 O3
CAS Number 950919-28-5
FDA UNII Search
Nikkaji Number J2.497.034E
xLogP3-AA 2.60 (est)
NMR Predictor External link
Synonyms
  • 2H-1,5-benzodioxepin-3(4H)-one, 7-(1-methylethyl)-
  • 7-(1-methyl ethyl)-2H-1,5-benzodioxepin-3(4H)-one
  • 7-(1-methylethyl)-2H-1,5-benzodioxepin-3(4H)-one
  • 7-propan-2-yl-1,5-benzodioxepin-3-one
  • 7-iso propyl-2,4-dihydro-3H-1,5-benzodioxepin-3-one
  • 2H-1,5-Benzodioxepin-3(4H)-one, 7-(1-methylethyl)-
  • 7-(1-Methylethyl)-2H-1,5-benzodioxepin-3(4H)-one

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PhysChem Properties

Material listed in food chemical codex No
Molecular weight 206.24118041992
logP (o/w) 2.58
Solubility
water, 57.11 mg/L @ 25 °C (est) Yes

Organoleptic Properties

Odor Type: Marine
marine, watery, fruity, clean
Odor strength high
Substantivity 336 hour(s) at 100.00 %
General comment At 1.00 % in dipropylene glycol. fresh marine watery fruity clean sweet
A sweet, watery version of CALONE ® with a transparent floral signature. CASCALONE ® is used to bring a natural and clean freshwater signature from top to base note. Fresh, aquatic ingredient, with watery, fruity undertones

Safety Information

Safety information

Hazards identification
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
Pictogram
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in use information

Category:
fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for cascalone (Firmenich) flavor usage levels up to:
not for flavor use.

Safety references

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):950919-28-5
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :22934582
National Institute of Allergy and Infectious Diseases:Data
7-propan-2-yl-1,5-benzodioxepin-3-one
Chemidplus:0950919285