1,3-oxathiane, 2-ethyl-4,4-dimethyl-
1,3-oxathiane, 2-ethyl-4,4-dimethyl-
 
Notes:
None found
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Fragrance Demo Formulas
CAS Number: 444880-09-5Picture of molecule3D/inchi
Molecular Weight: 160.27972000
Formula: C8 H16 O S
NMR Predictor: Predict (works with chrome or firefox)
Category: fragrance agents
 
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Physical Properties:
Appearance: colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 212.67 °C. @ 760.00 mm Hg (est)
Vapor Pressure: 0.249000 mmHg @ 25.00 °C. (est)
Flash Point: 180.00 °F. TCC ( 82.40 °C. ) (est)
logP (o/w): 2.861 (est)
Soluble in:
 water, 723.6 mg/L @ 25 °C (est)
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Organoleptic Properties:
 
Odor Type: herbal
 
Odor Strength: high ,
recommend smelling in a 1.00 % solution or less
 
 herbal  sage  tagette  currant bud black currant bud  minty  sulfurous  onion  
Odor Description:
at 1.00 % in dipropylene glycol. 
herbal sage tagette cassis minty sulfury onion
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
 None found
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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
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Safety in Use Information:
Category: fragrance agents
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
 
Recommendation for 1,3-oxathiane, 2-ethyl-4,4-dimethyl- flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System: View
EPA Substance Registry Services (TSCA): 444880-09-5
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
National Institute of Allergy and Infectious Diseases: Data
 2-ethyl-4,4-dimethyl-1,3-oxathiane
Chemidplus: 0444880095
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References:
 2-ethyl-4,4-dimethyl-1,3-oxathiane
NIST Chemistry WebBook: Search Inchi
Pubchem (sid): 135273360
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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
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
fruity
 benzyl heptanoateFL/FR
green
 thiogeraniolFL/FR
herbal
 barosma betulina leaf oilFL/FR
2-(2,4-dimethyl-3-cyclohexene-1-yl)-4,4-dimethyl-1,3-oxathianeFR
sulfurous
 grapefruit menthaneFL/FR
thujonic
 armoise oilFR
 
For Flavor
 
No flavor group found for these
 benzyl heptanoateFL/FR
herbal
 barosma betulina leaf oilFL/FR
minty
 thiogeraniolFL/FR
sulfurous
 grapefruit menthaneFL/FR
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
2-ethyl-4,4-dimethyl-1,3-oxathiane
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Articles:
 None found yet.
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