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

2,4,4-trimethyl-1,3-oxathiane

Supplier Sponsors

Name:2,4,4-trimethyl-1,3-oxathiane
CAS Number: 72472-02-7Picture of molecule3D/inchi
XlogP3-AA:2.00 (est)
Molecular Weight:146.25278000
Formula:C7 H14 O S
NMR Predictor:Predict (works with chrome or firefox)
EFSA/JECFA Comments:
(R) or (S) enantiomer not specified by CASrn in Register. Racemate (EFFA, 2010a).
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
Pubchem Patents:Search
 
Physical Properties:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Melting Point: 32.00 °C. @ 760.00 mm Hg
Boiling Point: 191.00 to 192.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure:0.708000 mm/Hg @ 25.00 °C. (est)
Flash Point: 157.00 °F. TCC ( 69.70 °C. ) (est)
logP (o/w): 2.352 (est)
Soluble in:
 alcohol
 water, 2194 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: green
Odor Strength:high ,
recommend smelling in a 1.00 % solution or less
green woody terpenic
Odor Description:at 1.00 % in dipropylene glycol. green woody terpenic
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
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 2,4,4-trimethyl-1,3-oxathiane usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.0012 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 78 (μg/person/day)
Threshold of Concern:540 (μg/person/day)
Structure Class: II
 
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): 0.200001.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 0.100000.50000
Edible ices, including sherbet and sorbet (03.0): 0.200001.00000
Processed fruit (04.1): 0.200001.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 0.200001.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 0.100000.50000
Bakery wares (07.0): 0.200001.00000
Meat and meat products, including poultry and game (08.0): 0.100000.20000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 0.100000.20000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 0.100000.50000
Foodstuffs intended for particular nutritional uses (13.0): 0.200001.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 0.100000.30000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 0.200001.00000
Ready-to-eat savouries (15.0): 0.400002.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 0.100000.50000
 
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 74 (FGE.74)[1]: Consideration of Simple Aliphatic Sulphides and Thiols evaluated by JECFA (61st meeting) Structurally related to Aliphatic and Alicyclic Mono-, Di-, Tri-, and Polysulphides with or without Additional Oxygenated Functional Groups from Chemical Group 20 evaluated by EFSA in FGE.08 (2008)
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

Flavouring Group Evaluation 91 (FGE.91): Consideration of simple aliphatic and aromatic sulphides and thiols evaluated by JECFA (53rd and 68th meetings) structurally related to aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups evaluated by EFSA in FGE.08Rev1 (2009)
View page or View pdf

Flavouring Group Evaluation 08 Rev2 (FGE.08 Rev2): 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 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 ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :18539813
National Institute of Allergy and Infectious Diseases:Data
2,4,4-trimethyl-1,3-oxathiane
 
References:
 2,4,4-trimethyl-1,3-oxathiane
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):18539813
Pubchem (sid):30702408
 
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
 
Potential Blenders and core components note
For Odor
balsamic
betula pubescens bud oil
FL/FR
frankincense absolute
FL/FR
juniper berry absolute
FL/FR
floral
linalool
FL/FR
beta-
ocimene
FL/FR
orange leaf absolute
FL/FR
green
galbanum oleoresin
FL/FR
galbanum resinoid
FL/FR
herbal
(+)-alpha-
campholenic aldehyde
FL/FR
canarium luzonicum oil
FL/FR
iso
dihydrolavandulal
FL/FR
terpinolene
FL/FR
thyme oil wild or creeping
FL/FR
minty
dextro-
dihydrocarvone
FL/FR
(-)-iso
pulegol
FL/FR
iso
pulegol
FL/FR
spicy
angelica oil
FL/FR
croton eluteria bark oil
FL/FR
ginger root oil brazil
FL/FR
ginger root oil china
FL/FR
ginger root oil cochin
FL/FR
nutmeg absolute
FL/FR
2-
octanol
FL/FR
black
pepper oil
FL/FR
black
pepper oil CO2 extract
FL/FR
sulfurous
mango thiol
FL/FR
terpenic
juniperus communis fruit oil
FL/FR
alpha-
phellandrene
FL/FR
woody
alpha-
farnesene
FL/FR
alpha-
farnesene isomer
FL/FR
humulus lupulus extract
FL/FR
alpha-
terpinene
FL/FR
(±)-
tetrahydronootkatone
FL/FR
For Flavor
No flavor group found for these
betula pubescens bud oil
FL/FR
(±)-
tetrahydronootkatone
FL/FR
balsamic
balsamic
juniper berry absolute
FL/FR
citrus
linalool
FL/FR
floral
orange leaf absolute
FL/FR
green
(+)-alpha-
campholenic aldehyde
FL/FR
canarium luzonicum oil
FL/FR
dextro-
dihydrocarvone
FL/FR
alpha-
farnesene
FL/FR
alpha-
farnesene isomer
FL/FR
galbanum oleoresin
FL/FR
galbanum resinoid
FL/FR
beta-
ocimene
FL/FR
herbal
iso
dihydrolavandulal
FL/FR
thyme oil wild or creeping
FL/FR
medicinal
frankincense absolute
FL/FR
minty
iso
pulegol
FL/FR
(-)-iso
pulegol
FL/FR
orris
costus root oil
FL
spicy
angelica oil
FL/FR
croton eluteria bark oil
FL/FR
ginger root oil brazil
FL/FR
ginger root oil china
FL/FR
ginger root oil cochin
FL/FR
nutmeg absolute
FL/FR
2-
octanol
FL/FR
black
pepper oil
FL/FR
black
pepper oil CO2 extract
FL/FR
sulfurous
mango thiol
FL/FR
terpenic
juniperus communis fruit oil
FL/FR
alpha-
phellandrene
FL/FR
alpha-
terpinene
FL/FR
woody
humulus lupulus extract
FL/FR
terpinolene
FL/FR
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
2,4,4-trimethyl-1,3-oxathiane
 

Articles:

 None found yet.
 
Notes:
None found
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