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

3,5-diisopropyl-1,2,4-trithiolane
3,5-di-isopropyl-1,2,4-trithiolane

Supplier Sponsors

Name:3,5-di(propan-2-yl)-1,2,4-trithiolane
CAS Number: 54934-99-5Picture of molecule3D/inchi
Nikkaji Web:J101.783G
XlogP3-AA:4.30 (est)
Molecular Weight:208.41052000
Formula:C8 H16 S3
NMR Predictor:Predict (works with chrome or firefox)
EFSA/JECFA Comments:
CASrn in Register refers to the racemate. Mixture of isomers ((R/R), (R/S), (S/R) & (S/S) at equal ratio, i.e. 25 % of each) (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
FLAVIS Number:15.048 (Old)
DG SANTE Food Flavourings:15.048 3,5-di-isopropyl-1,2,4-trithiolane
 
Physical Properties:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Melting Point: 133.00 °C. @ 760.00 mm Hg
Boiling Point: 279.00 to 281.00 °C. @ 760.00 mm Hg (est)
Boiling Point: 263.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.006000 mm/Hg @ 25.00 °C. (est)
Flash Point: 248.00 °F. TCC ( 120.00 °C. )
logP (o/w): 5.487 (est)
Soluble in:
 alcohol
 water, 14.93 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: meaty
Odor Strength:very high ,
recommend smelling in a 0.01 % solution or less
meaty bacon smoky
Odor Description:at 0.01 % in propylene glycol. powerful crispy bacon
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
1,2,4-Trithiolane, 3,5-bis(1-methylethyl)- 95%
R C Treatt & Co Ltd
3,5-Di-isobutyl-1,2,4-trithiolane Experimental 85%
Odor: Very powerful “crispy bacon” note
 
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 3,5-diisopropyl-1,2,4-trithiolane usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.0061 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 46 (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): 0.020001.00000
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): --
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 :529049
National Institute of Allergy and Infectious Diseases:Data
3,5-di(propan-2-yl)-1,2,4-trithiolane
 
References:
 3,5-di(propan-2-yl)-1,2,4-trithiolane
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):529049
Pubchem (sid):10341135
 
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
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
nutty
2-
methyl-3-(methyl thio) pyrazine
FL/FR
phenolic
ortho-
guaiacol
FL/FR
2,5-
xylenol
FL/FR
smoky
2,6-
dimethoxyphenol
FL/FR
4-
ethyl phenol
FL/FR
pyroligneous acids
FL/FR
spicy
4-
ethyl guaiacol
FL/FR
For Flavor
No flavor group found for these
1,2-
butane dithiol
FL
(Z+E)-2,5-
dimethyl-3-tetrahydrofuran thiol
FL
(Z+E)-2,5-
dimethyl-3-thioacetoxytetrahydrofuran
FL
2,5-
dimethyl-3-thiofuroyl furan
FL
methyl dihydrofuran thiol
FL
2-
methyl-3-(methyl thio) pyrazine
FL/FR
3-((2-
methyl-3-furyl)thio)-4-heptanone
FL
4-((2-
methyl-3-furyl)thio)-5-nonanone
FL
thioacetic acid
FL
3,7-
dimethyl-2,6-octadien-1-yl cyclopropyl carboxamide
FL
2-
methyl-1-methyl thio-2-butene
FL
alliaceous
alliaceous
allyl mercaptan
FL
burnt
bacon dithiazine
FL
chemical
2,5-
dimethyl furan
FL
fried
crisp enhancers
FL
meaty
4-
allyl-2,6-dimethoxyphenol
FL
2,6-
dimethyl thiophenol
FL
1,1-
ethane dithiol 1% in ethanol 94.5% / ethyl acetate 4%
FL
meaty enhancers
FL
(R,S)-2-
mercapto-3-butanol
FL
bis(2-
methyl-3-furyl) disulfide
FL
S-(2-
methyl-3-furyl) ethane thioate
FL
propyl 2-mercaptopropionate
FL
2-
pyridinyl methane thiol
FL
thialdine
FL
medicinal
2,6-
dimethoxyphenol
FL/FR
musty
2,5-
xylenol
FL/FR
nutty
3-
acetyl-2,5-dimethyl thiophene
FL
nutty thiazole
FL
roasted
3,5-
diisobutyl-1,2,4-trithiolane
FL
smoky
4-
ethyl phenol
FL/FR
pyroligneous acids
FL/FR
sulfurous
furfuryl thiopropionate
FL
2-
naphthyl mercaptan
FL
roasted butanol
FL
2,4,6-
trithiaheptane 10% in triacetin
FL
woody
4-
ethyl guaiacol
FL/FR
ortho-
guaiacol
FL/FR
 
Potential Uses:
FLbacon
FRhawthorn
FLmeat
 
Occurrence (nature, food, other):note
 found in nature
 
Synonyms:
3,5-di-isopropyl-1,2,4-trithiolane
3,5-di(propan-2-yl)-1,2,4-trithiolane
1,2,4-trithiolane, 3,5-bis(1-methylethyl)-
 

Articles:

 None found yet.
 
Notes:
None found
Please share your Comments.
Email Address:
Top of Page Home
Copyright © 1980-2018 The Good Scents Company (tgsc) ™ Disclaimer Privacy Policy