EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

(±)-(Z+E)-2-pentyl-4-propyl-1,3-oxathiane
(+/-)-cis- and trans-2-pentyl-4-propyl-1,3-oxathiane

Supplier Sponsors

CAS Number: 59323-81-8Picture of molecule3D/inchi
FDA UNII: 5035RP211X
Molecular Weight:216.38748000
Formula:C12 H24 O S
NMR Predictor:Predict (works with chrome, Edge or firefox)
EFSA/JECFA Comments:
Mixture of 85-86 % cis-2-Pentyl-4-propyl-1,3-oxathiane and 10-13% trans-2-Pentyl-4-propyl-1,3-oxathiane. Stereoisomeric composition to be specified. CASrn in Register does not specify stereoisomeric composition. Mixture of diastereoisomers: 25 % of each (EFFA, 2012j).
Category:flavoring agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
PubMed:Search
NCBI:Search
JECFA Food Flavoring:1943 (+/-)-cis- and trans-2-pentyl-4-propyl-1,3-oxathiane
DG SANTE Food Flavourings:16.114 2-pentyl-4-propyl-1,3-oxathiane
FEMA Number:4499 (+/-)-cis- and trans-2-pentyl-4-propyl-1,3-oxathiane
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):59323-81-8 ; (+/-)CIS- AND TRANS-2-PENTYL-4-PROPYL-1,3-OXATHIANE
 
Physical Properties:
Appearance:colorless to yellow clear liquid (est)
Assay: 97.00 to 100.00 sum of isomers
Food Chemicals Codex Listed: No
Specific Gravity:0.93600 to 0.94200 @ 25.00 °C.
Pounds per Gallon - (est).: 7.788 to 7.838
Refractive Index:1.47500 to 1.48100 @ 20.00 °C.
Boiling Point: 298.00 to 300.00 °C. @ 760.00 mm Hg (est)
Boiling Point: 299.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.002140 mmHg @ 25.00 °C. (est)
Flash Point: 274.00 °F. TCC ( 134.44 °C. ) (est)
logP (o/w): 4.440 (est)
Soluble in:
 alcohol
 water, 7.442 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: onion
fruity alliaceous
Odor Description:at 0.10 % in propylene glycol. fruity alliaceous
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Parchem
(±)-(Z+E)-2-Pentyl-4-propyl-1,3-oxathiane
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
 
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:
flavoring agents
Recommendation for (±)-(Z+E)-2-pentyl-4-propyl-1,3-oxathiane usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.12 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 290 (μg/person/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: 24
Click here to view publication 24
 average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): 0.500003.00000
beverages(alcoholic): 0.500003.00000
breakfast cereal: --
cheese: --
chewing gum: 1.000005.00000
condiments / relishes: --
confectionery froastings: 0.500003.00000
egg products: --
fats / oils: --
fish products: --
frozen dairy: 0.500003.00000
fruit ices: 0.500003.00000
gelatins / puddings: 0.500003.00000
granulated sugar: --
gravies: --
hard candy: 1.000005.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: 0.500003.00000
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: --
sugar substitutes: --
sweet sauces: --
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): --
Fats and oils, and fat emulsions (type water-in-oil) (02.0): --
Edible ices, including sherbet and sorbet (03.0): 0.500003.00000
Processed fruit (04.1): --
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 1.000005.00000
Chewing gum (05.3): --
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): --
Bakery wares (07.0): --
Meat and meat products, including poultry and game (08.0): --
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): --
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): --
Foodstuffs intended for particular nutritional uses (13.0): --
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 0.500003.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 0.500003.00000
Ready-to-eat savouries (15.0): 1.000005.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 0.500003.00000
 
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 8, Revision 3 (FGE.08Rev3): 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 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
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
National Institute of Allergy and Infectious Diseases:Data
2-pentyl-4-propyl-1,3-oxathiane
Chemidplus:0059323818
 
References:
 2-pentyl-4-propyl-1,3-oxathiane
NIST Chemistry WebBook:Search Inchi
Pubchem (cas):59323-81-8
 
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
FDA Substances Added to Food (formerly EAFUS):View
HMDB (The Human Metabolome Database):Search
FAO:(+/-)-cis- and trans-2-Pentyl-4-propyl-1,3-oxathiane
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
1,3-oxathiane, 2-pentyl-4-propyl-
(+-)-cis- and trans-2-pentyl-4-propyl-1,3-oxathiane
(+/-)-cis- and trans-2-pentyl-4-propyl-1,3-oxathiane
2-pentyl-4-propyl-1,3-oxathiane
 
 
Notes:
None found
Please share your Comments.
Email Address:
Top of Page Home
Copyright © 1980-2021 The Good Scents Company (tgsc) ™ Disclaimer Privacy Policy