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2-tropical oxathiane
2-methyl-4-propyl-1,3-oxathiane

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Fragrance Demo Formulas
Flavor Demo Formulas
Name:2-methyl-4-propyl-1,3-oxathiane
CAS Number: 67715-80-4Picture of molecule3D/inchi
FDA UNII:40P17KW8WL
Nikkaji Web:J24.392B
MDL:MFCD00673203
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)
Category:flavor and fragrance 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
Pubchem Patents:Search
JECFA Food Flavoring:464 2-methyl-4-propyl-1,3-oxathiane
FLAVIS Number:16.030 (Old)
DG SANTE Food Flavourings:16.030 2-methyl-4-propyl-1,3-oxathiane
FEMA Number:3578 2-methyl-4-propyl-1,3-oxathiane
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):67715-80-4 ; 2-METHYL-4-PROPYL-1,3-OXATHIANE
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00 sum of isomers
Food Chemicals Codex Listed: No
Boiling Point: 200.00 to 201.00 °C. @ 760.00 mm Hg
Boiling Point: 89.00 to 90.00 °C. @ 12.00 mm Hg
Vapor Pressure:0.123000 mmHg @ 25.00 °C. (est)
Vapor Density:5.5 ( Air = 1 )
Flash Point: 122.00 °F. TCC ( 50.00 °C. )
logP (o/w): 2.990 (est)
Soluble in:
 alcohol
 oils
 water, 672.1 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: tropical
Odor Strength:high ,
recommend smelling in a 1.00 % solution or less
Substantivity:56 hour(s) at 100.00 %
green tropical galbanum pineapple
Odor Description:at 1.00 % in dipropylene glycol. green tropical galbanum pineapple
Odor and/or flavor descriptions from others (if found).
R C Treatt & Co Ltd
2-Methyl-4-propyl-1,3-oxathiane Halal, Kosher
Odor Description:‘tropical/passionfruit’; green/sulfurous
A patent exists on use in fragrances.
Taste Description:tropical
Used in ripe/soft fruit flavors - in frozen dairy, soft confection at 0.1ppm; and in non-alcoholic beverages at 0.05ppm. Odour threshold in water: 2 ppb for the (+)-cis isomer and 4 ppb for the (-)-cis isomer. Pickenhagen (1989) described the odour of the (+)-cis isomer as "sulphury, rubbery, tropical fruit" and the (-)-cis isomer as "flat, estery, camphoraceous". Camps (1985) indicates that 3-methylthiohexanol (FEMA# 3438) is closely related in odour profile, although "perhaps more green". Normal use levels in finished consumer product: up to 0.1 ppm.
Frutarom
TROPATHIANE
Odor Description:Fruity, Green, Passion Fruit, Sulphurus, Tropical
Suggested Uses: Citrus Fruits, Passion Fruit, Tropical Fruits
Frutarom
OXATHIANE 50
Odor Description:Fruity, Green, Passion Fruit, Sulphurus, Tropical
 
Cosmetic Information:
None found
 
Suppliers:
Augustus Oils
Tropathiane
Services
Axxence Aromatic
2-METHYL-4-PROPYL -1.3-OXATHIANE 1% IN PG, Natural
Kosher
Sustainability
Axxence Aromatic
2-METHYL-4-PROPYL-1.3-OXATHIANE Natural
Beijing Lys Chemicals
2-Methyl-4-propyl-1,3-oxathiane
BOC Sciences
For experimental / research use only.
2-Methyl-4-propyl-1,3-oxathiane, mixture of cis and trans 95%
Carbosynth
For experimental / research use only.
2-Methyl-4-propyl-1,3 oxathiane
Charkit Chemical
TROPATHIANE (4-METHYL-4-PROPYL -1,3-OXATHIANE) FEMA 3578
DeLong Chemicals America
2-Methyl-4-propyl-1,3-oxathiane, Kosher
Endeavour Specialty Chemicals
2-Methyl-4-propyl-1,3-oxathiane
Speciality Chemical Product Groups
Ernesto Ventós
TROPATHIANE
Odor: TROPICAL FRUIT, PUNGENT
Excellentia International
2-Methyl-4-Propyl-1,3-Oxathiane Natural
Frutarom
OXATHIANE 50
Frutarom
TROPATHIANE
Odor: Fruity, Green, Passion Fruit, Sulphurus, Tropical
Use: Suggested Uses: Citrus Fruits, Passion Fruit, Tropical Fruits
Matrix Scientific
For experimental / research use only.
2-Methyl-4-propyl-1,3-oxathiane, 95+%
Natural Advantage
Methyl-4-Propyl-1,3-Oxathiane Nat, 2- 10% in OH
Flavor: fruity, green, sulphurous, tropical
Riverside Aromatics LTD.is the exclusive distributor for Europe in UK for any non-US based inquiries
Natural Advantage
Methyl-4-Propyl-1,3-Oxathiane, 2- Nat, 1% in OH
Flavor: fruity, green, sulphurous, tropical
Natural Advantage
Methyl-4-Propyl-1,3-Oxathiane, 2- Nat, 1% in Triacetin Nat USOC
Flavor: fruity, green, sulphurous, tropical
Natural Advantage
Methyl-4-Propyl-1,3-Oxathiane, 2- Nat, 1% in Triacetin
Flavor: fruity, green, sulphurous, tropical
Natural Advantage
Methyl-4-Propyl-1,3-Oxathiane, 2- Nat, 1% PG
Flavor: fruity, green, sulphurous, tropical
Natural Advantage
Methyl-4-Propyl-1,3-Oxathiane, 2- Nat, 10% in Triacetin Nat USOC
Flavor: fruity, green, sulphurous, tropical
Natural Advantage
Methyl-4-Propyl-1,3-Oxathiane, 2- Nat, 10% in Triacetin
Flavor: fruity, green, sulphurous, tropical
Penta International
2-METHYL-4-PROPYL-1,3-OXATHIANE 10% IN ETHANOL NATURAL
Penta International
2-METHYL-4-PROPYL-1,3-OXATHIANE 50% IN TRIETHYL CITRATE
Penta International
2-METHYL-4-PROPYL-1,3-OXATHIANE NATURAL 0.1% IN PG
Penta International
2-METHYL-4-PROPYL-1,3-OXATHIANE NATURAL 1% IN ETOH (190 PROOF)
Penta International
2-METHYL-4-PROPYL-1,3-OXATHIANE NATURAL 1% IN ETOH (200 PROOF)
Penta International
2-METHYL-4-PROPYL-1,3-OXATHIANE NATURAL
Penta International
2-METHYL-4-PROPYL-1,3-OXATHIANE TECH GRADE
Penta International
2-METHYL-4-PROPYL-1,3-OXATHIANE
Perfumer Supply House
Tropathiane (2-Tropical Oxathiane)
Odor: powerful tropical fruit note; passionfruit, durian
Perfumery Laboratory
TROPATIAN 1% in SP (Tropathiane 1% PA)
Odor: Very powerful, tropical fruit durian flavor and passion fruit, a little sour
R C Treatt & Co Ltd
2-Methyl-4-propyl-1,3-oxathiane, 50% in TEC
Halal, Kosher
R C Treatt & Co Ltd
2-Methyl-4-propyl-1,3-oxathiane
Halal, Kosher
Odor: ‘tropical/passionfruit’; green/sulfurous
Use: A patent exists on use in fragrances.
Flavor: tropical
Used in ripe/soft fruit flavors - in frozen dairy, soft confection at 0.1ppm; and in non-alcoholic beverages at 0.05ppm. Odour threshold in water: 2 ppb for the (+)-cis isomer and 4 ppb for the (-)-cis isomer. Pickenhagen (1989) described the odour of the (+)-cis isomer as "sulphury, rubbery, tropical fruit" and the (-)-cis isomer as "flat, estery, camphoraceous". Camps (1985) indicates that 3-methylthiohexanol (FEMA# 3438) is closely related in odour profile, although "perhaps more green". Normal use levels in finished consumer product: up to 0.1 ppm.
Reincke & Fichtner
2-Methyl-4-propyl-1,3-oxathiane
Robinson Brothers
2-Methyl-4-propyl-1,3-oxathiane F&F
https://www.robinsonbrothers.uk/chemistry-competences
Sigma-Aldrich
2-Methyl-4-propyl-1,3-oxathiane, mixture of cis and trans, ≥98%, FG
Odor: tropical; green
Certified Food Grade Products
Synerzine
2-Methyl-4-propyl-1,3-oxathiane
Taytonn
Tropathiane
Odor: Fruity, Green, Sulphurous, Tropical
TCI AMERICA
For experimental / research use only.
2-Methyl-4-propyl-1,3-oxathiane (cis- and trans- mixture) >97.0%(GC)
Tengzhou Xiang Yuan Aroma Chemicals
2-Methyl-4-propyl-1,3-oxathiane
WholeChem
2-Methyl-4-propyl-1,3-oxathiane
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 10 - Flammable.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 37/39 - Wear suitable gloves and eye/face protection.
 
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:
gavage-rat LD50 6000 mg/kg
Estimated value
(BIBRA, 1976)

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for 2-tropical oxathiane usage levels up to:
  0.5000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 1.30 (μg/capita/day)
Structure Class: II
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
 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: --
 
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):

Flavouring Group Evaluation 8 (FGE.08)[1]: Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical group 20
View page or View pdf

Flavouring Group Evaluation 8, Revision 1 (FGE.08Rev1): 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 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 the safety and efficacy of aliphatic and aromatic mono- and di-thiols and mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups (chemical group 20) when used as flavourings for all animal species
View page or View pdf

EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :101010
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 1993
WGK Germany:3
2-methyl-4-propyl-1,3-oxathiane
Chemidplus:0067715804
 
References:
 2-methyl-4-propyl-1,3-oxathiane
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:67715-80-4
Pubchem (cid):101010
Pubchem (sid):135058324
 
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
FDA Substances Added to Food (formerly EAFUS):View
CHEBI:View
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB31572
FooDB:FDB008189
Export Tariff Code:2930.90.9999
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
FAO:2-Methyl-4-propyl-1,3-oxathiane
 
Potential Blenders and core components note
For Odor
No odor group found for these
2-
ethyl-N-methyl-N-(3-methyl phenyl) butyramide
FR
balsamic
balsamic
cotinus coggygria branch/leaf oil
FL/FR
chemical
propyl propionate
FL/FR
fatty
allyl octanoate
FL/FR
floral
cassis specialty
FR
citronellyl butyrate
FL/FR
greenhouse fragrance
FR
lily propanol
FR
beta-
ocimene
FL/FR
petitgrain oil fractions
FR
phenethyl butyrate
FL/FR
rose butanoate
FL/FR
fruity
allyl amyl glycolate
FR
allyl butyrate
FL/FR
allyl cyclohexyl acetate
FL/FR
iso
amyl hexanoate
FL/FR
iso
amyl isobutyrate
FL/FR
apple ketal
FL/FR
iso
butyl hexanoate
FL/FR
butyl isobutyrate
FL/FR
butyl isovalerate
FL/FR
butyl valerate
FL/FR
cherry pentenoate
FL/FR
citronellyl isobutyrate
FL/FR
cyclohexyl carboxylic acid
FL/FR
ethyl 3-hexenoate
FL/FR
ethyl levulinate
FL/FR
fleuramone (IFF)
FR
grape butyrate
FL/FR
propyl hexanoate
FL/FR
rhubarb undecane
FR
green
S-sec-
butyl thioisovalerate
FL/FR
2-iso
butyl-3-methoxypyrazine
FL/FR
2-sec-
butyl-3-methoxypyrazine
FL/FR
galbanum decatriene
FL/FR
galbanum oxyacetate
FR
galbascone (IFF)
FR
(Z)-3-
hepten-1-yl acetate
FL/FR
leafy oxime
FR
pineapple heptadienone 10%
FR
iso
propyl 3-methyl thiocrotonate
FL/FR
iso
propyl thioisovalerate
FL/FR
sorbyl isobutyrate
FL/FR
spirogalbanone (Givaudan)
FR
violet dienyne
FR
herbal
2-
pentyl acetate
FL/FR
melon
(Z)-6-
nonen-1-yl acetate
FL/FR
sulfurous
mango thiol
FL/FR
(S)-1-
methoxy-3-heptane thiol
FL/FR
tropical
ethyl (Z)-3-hexenoate
FL/FR
cis-
galbanum oxathiane
FL/FR
waxy
nonyl acetate
FL/FR
For Flavor
No flavor group found for these
S-sec-
butyl thioisovalerate
FL/FR
cotinus coggygria branch/leaf oil
FL/FR
ethyl (Z)-3-hexenoate
FL/FR
green pea pyrazine
FL
(Z)-3-
hepten-1-yl acetate
FL/FR
2-
methoxy-3-propyl pyrazine
FL
iso
propyl 3-methyl thiocrotonate
FL/FR
iso
propyl thioisovalerate
FL/FR
sorbyl isobutyrate
FL/FR
berry
berry
(S)-1-
methoxy-3-heptane thiol
FL/FR
dairy
2-
pentyl acetate
FL/FR
ethereal
4-
hexen-3-one
FL
fatty
allyl octanoate
FL/FR
fruity
allyl cyclohexyl acetate
FL/FR
iso
amyl hexanoate
FL/FR
iso
amyl isobutyrate
FL/FR
apple ketal
FL/FR
iso
butyl hexanoate
FL/FR
butyl isobutyrate
FL/FR
butyl isovalerate
FL/FR
butyl valerate
FL/FR
cherry pentenoate
FL/FR
citronellyl butyrate
FL/FR
citronellyl isobutyrate
FL/FR
cyclohexyl carboxylic acid
FL/FR
ethyl (E)-2-octenoate
FL
ethyl 3-hexenoate
FL/FR
ethyl levulinate
FL/FR
(Z)-3-
nonen-1-yl acetate
FL
phenethyl butyrate
FL/FR
propyl hexanoate
FL/FR
rose butanoate
FL/FR
green
allyl butyrate
FL/FR
2-iso
butyl-3-methoxypyrazine
FL/FR
galbanum decatriene
FL/FR
cis-
galbanum oxathiane
FL/FR
grape butyrate
FL/FR
(Z)-6-
nonen-1-yl acetate
FL/FR
beta-
ocimene
FL/FR
sulfurous
mango thiol
FL/FR
methyl 2-(methyl thio) butyrate
FL
tropical
propyl propionate
FL/FR
vegetable
2-sec-
butyl-3-methoxypyrazine
FL/FR
waxy
nonyl acetate
FL/FR
 
Potential Uses:
FRaldehydic
FLfruit tropical fruit
FRgreen
FRjasmin
FRlily of the valley
 natural
FRpassion fruit
FRrose
FLtropical
 
Occurrence (nature, food, other):note
 passion fruit yellow
Search Trop Picture
 sage clary sage
Search Trop Picture
 
Synonyms:
 maracuya compound
2-methyl-4-propyl -1.3-oxathiane 1% in PG, natural
2-methyl-4-propyl-1,3-oxathiane
2-methyl-4-propyl-1,3-oxathiane (cis- and trans- mixture)
2-methyl-4-propyl-1,3-oxathiane 0.1% in PG, natural
2-methyl-4-propyl-1,3-oxathiane 1% in ethanol, natural
2-methyl-4-propyl-1,3-oxathiane 10% in ethanol, natural
2-methyl-4-propyl-1,3-oxathiane natural
2-methyl-4-propyl-1,3-oxathiane, 50% in TEC
2-methyl-4-propyl-1,3-oxathiane, tech grade
2-methyl-4-propyl-1.3-oxathiane natural
1,3-oxathiane, 2-methyl-4-propyl-
 tropathiane (Frutarom)
 
 
Notes:
Isol. from juice of passion fruit Passiflora edulis. Important organoleptic compd. Flavouring and fragrance agent with blackcurrant aroma
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