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cascalone (Firmenich)
2H-1,5-benzodioxepin-3(4H)-one, 7-(1-methylethyl)-

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CAS Number: 950919-28-5Picture of molecule3D/inchi
ECHA Reach Pre-Reg:700-012-2
FDA UNII: Search
Nikkaji Web:J2.497.034E
XlogP3-AA:2.60 (est)
Molecular Weight:206.24118000
Formula:C12 H14 O3
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:fragrance agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
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Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
Physical Properties:
Appearance:powder white (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
logP (o/w): 2.580
Soluble in:
 water, 57.11 mg/L @ 25 °C (est)
Organoleptic Properties:
Odor Type: marine
Odor Strength:high
Substantivity:336 hour(s) at 100.00 %
marine watery fruity clean
Odor Description:at 1.00 % in dipropylene glycol. fresh marine watery fruity clean sweet
Odor and/or flavor descriptions from others (if found).
CASCALONE ® for fragrance
Odor Description:fresh, aquatic ingredient, with watery, fruity undertones
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.
Cosmetic Information:
None found
Ernesto Ventós
for fragrance
Odor: fresh, aquatic ingredient, with watery, fruity undertones
Use: 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.
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
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:
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
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):22934582
Pubchem (sid):176268581
Other Information:
(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
HMDB (The Human Metabolome Database):Search
Potential Blenders and core components note
None Found
Potential Uses:
None Found
Occurrence (nature, food, other):note
 not found in nature
2H-1,5-benzodioxepin-3(4H)-one, 7-(1-methylethyl)-
7-(1-methyl ethyl)-2H-1,5-benzodioxepin-3(4H)-one
None found
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