trans-galbanum oxathiane
trans-2-methyl-4-propyl-1,3-oxathiane
 
Notes:
None found
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(2S,4S)-2-methyl-4-propyl-1,3-oxathiane (Click)
CAS Number: 59324-17-3Picture of molecule
ECHA EINECS - REACH Pre-Reg: 261-700-1
FDA UNII: 5AFX6I408R
Nikkaji Web: J304.847K
CoE Number: 11540
XlogP3-AA: 2.70 (est)
Molecular Weight: 160.27972000
Formula: C8 H16 O S
NMR Predictor: Predict (works with chrome or firefox)
EFSA/JECFA Comments: Stereoisomeric composition to be specified. CASrn in Register refers to 1,3-Oxathiane, 2-methyl-4-propyl-, (2R,4R)-rel-. Mixture of diastereoisomers: 25 % of each (EFFA, 2012j).
Category: flavor and fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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Pubchem Patents: Search
Flavis Number: 16.062 (Old)
DG SANTE Food Flavourings: 16.062  trans-2-methyl-4-propyl-1,3-oxathiane
FEMA Number: 3578  trans-2-methyl-4-propyl-1,3-oxathiane
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Physical Properties:
Appearance: colorless to pale yellow clear liquid (est)
Assay: 98.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.97000 to 0.98200 @  25.00 °C.
Pounds per Gallon - (est).: 8.071 to  8.171
Refractive Index: 1.47500 to 1.48500 @  20.00 °C.
Boiling Point: 226.00 to  227.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.123000 mm/Hg @ 25.00 °C. (est)
Flash Point: 195.00 °F. TCC ( 90.56 °C. )
logP (o/w): 2.990 (est)
Soluble in:
 alcohol
 water, 672.1 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor Type: tropical
 
 sulfurous  onion green onion  onion  garlic  tropical  
Odor Description:
at 0.10 % in dipropylene glycol. 
sulfurous green onion garlic tropical
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
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Suppliers:
Parchem
(E)-galbanum oxathiane
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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: flavor and fragrance agents
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 1.00 (μg/capita/day)
Threshold of Concern:90 (μg/person/day)
Structure Class: III
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 11
Click here to view publication 11
 average usual ppmaverage maximum ppm
baked goods: -0.10000
beverages(nonalcoholic): -0.05000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -0.10000
fruit ices: --
gelatins / puddings: -0.10000
granulated sugar: --
gravies: --
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: -0.10000
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: -0.10000
soups: --
sugar substitutes: --
sweet sauces: --
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Safety References:
European Food Safety Athority(efsa): Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
European Food Safety Authority (EFSA) reference(s):
Scientific Opinion on Flavouring Group Evaluation 08, Revision 4 (FGE.08Rev4): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 08, Revision 5 (FGE.08Rev5): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30
View page or View pdf
EPI System: View
EPA Substance Registry Services (TSCA): 59324-17-3
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 6931727
National Institute of Allergy and Infectious Diseases: Data
 (2S,4S)-2-methyl-4-propyl-1,3-oxathiane
Chemidplus: 0059324173
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References:
 (2S,4S)-2-methyl-4-propyl-1,3-oxathiane
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 59324-17-3
Pubchem (cid): 6931727
Pubchem (sid): 43541467
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Other Information:
(IUPAC): Atomic Weights of the Elements 2009
(IUPAC): Atomic Weights of the Elements 2009 (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
alliaceous
 methyl furfuryl disulfideFL/FR
spicy
 ethyl vinyl ketoneFL/FR
 dimethyl sulfideFL/FR
1,3-dithiolane 
 ferula assa-foetida absoluteFL/FR
2-methyl 5-(methyl thio) furanFL/FR
2-(methyl thio) phenolFL/FR
4-tropical oxathianeFL/FR
 
For Flavor
 
No flavor group found for these
 allyl methyl disulfideFL
 allyl methyl trisulfideFL
 allyl propyl disulfideFL
 allyl propyl sulfideFL
 allyl propyl trisulfideFL
isoamyl mercaptanFL
 diethyl trisulfideFL
 dipropyl sulfideFL
 ethyl methyl trisulfideFL
 ethyl propyl disulfideFL
 ethyl propyl trisulfideFL
4-mercapto-3-methyl-2-butanolFL
bis(1-mercaptopropyl) sulfideFL
 methyl butyl sulfideFL
alliaceous
 allyl mercaptanFL
 allyl thiopropionateFL
 benzyl mercaptanFL
 cyclopentyl mercaptanFL
 dipropyl trisulfideFL
2-methyl thioacetaldehydeFL
coffee
 methyl furfuryl disulfideFL/FR
fruity
4-tropical oxathianeFL/FR
garlic
 allyl methyl sulfideFL
 garlic oleoresinFL
meaty
3-mercapto-2-butanoneFL
(R,S)-2-mercapto-3-butanolFL
2-(methyl thio) phenolFL/FR
ortho-thiocresolFL
musty
2-methyl 5-(methyl thio) furanFL/FR
onion
 methionolFL
 methyl propyl trisulfideFL
 propyl thioacetateFL
roasted
 ethyl 3-(furfuryl thio) propionateFL
seafood
1,4-dithianeFL
spicy
 ethyl vinyl ketoneFL/FR
sulfurous
 allyl sulfideFL
 diallyl polysulfidesFL
 diallyl tetrasulfideFL
 dimethyl sulfideFL/FR
1,3-dithiolane 
S-ethyl thioacetateFL
 ferula assa-foetida absoluteFL/FR
 furfuryl methyl sulfideFL
 furfuryl thiopropionateFL
 methyl 4-(methyl thio) butyrateFL
 
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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:
trans-galbanum oxathiane
(2S,4S)-2-methyl-4-propyl-1,3-oxathiane
trans-2-methyl-4-propyl-1,3-oxathiane
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Articles:
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