(±)-(Z+E)-2-pentyl-4-propyl-1,3-oxathiane

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

CAS: 59323-81-8 C12 H24 O S MW: 216.38748000 onion

Identification

Name(±)-(Z+E)-2-pentyl-4-propyl-1,3-oxathiane
CAS Number59323-81-8
FDA UNII5035RP211X
Molecular FormulaC12 H24 O S
Molecular Weight216.38748000

Regulatory

JECFA Food Flavoring1943 (+/-)-cis- and trans-2-pentyl-4-propyl-1,3-oxathiane
DG SANTE Food Flavourings16.114 2-pentyl-4-propyl-1,3-oxathiane
FEMA Number4499
FDANo 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), 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
Insoluble in water

Organoleptic Properties

Odor Description at 0.10 % in propylene glycol.

Safety Information

Oral/Parenteral ToxicityNot determined
Dermal ToxicityNot determined
Inhalation ToxicityNot determined

GHS Classification

['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']

Safety in Use

Categoryflavoring agents
Recommendation for (±)-(Z+E)-2-pentyl-4-propyl-1,3-oxathiane usage levels up tonot 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 Concern90 (μg/person/day)
Structure ClassIII
baked goods-
beverages(nonalcoholic)0.50000
beverages(alcoholic)0.50000
breakfast cereal-
cheese-
chewing gum1.00000
condiments / relishes-
confectionery froastings0.50000
egg products-
fats / oils-
fish products-
frozen dairy0.50000
fruit ices0.50000
gelatins / puddings0.50000
granulated sugar-
gravies-
hard candy1.00000
imitation dairy-
instant coffee / tea-
jams / jellies0.50000
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-
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)0.50000
Processed fruit (04.1)-
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2)-
Confectionery (05.0)1.00000
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)0.50000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2)0.50000
Ready-to-eat savouries (15.0)1.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0)0.50000

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Potential Uses

None Found

Natural Occurrence

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 Try the PubMed Search.