3,6-dimethyl-1,2,4,5-tetrathiane, 67411-27-2

Supplier Sponsors

Exchange of knowledge
Need This Item for Flavor? You can contact the Chemical Sources Association.
Events
Links
CODE158380 CODE158380
Product(s):

Name:	3,6-dimethyl-1,2,4,5-tetrathiane
CAS Number:	67411-27-2	3D/inchi
FDA UNII:	2910Y955PI
Nikkaji Web:	J641.812K
XlogP3-AA:	2.40 (est)
Molecular Weight:	184.36776000
Formula:	C4 H8 S4
NMR Predictor:	Predict (works with chrome, Edge or firefox)
EFSA/JECFA Comments:
CASrn in Register does not specify stereoisomeric composition. Mixture of diastereoisomers (EFFA., 2010a). Composition of stereoisomeric mixture: 50 % cis and 50 % trans (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
Pubchem Patents:	Search
PubMed:	Search
NCBI:	Search
DG SANTE Food Flavourings:	15.056 3,6-dimethyl-1,2,4,5-tetrathiane

Physical Properties:

Assay:	95.00 to 100.00
Food Chemicals Codex Listed:	No
Melting Point:	198.00 °C. @ 760.00 mm Hg
Boiling Point:	270.00 to 272.00 °C. @ 760.00 mm Hg (est)
Boiling Point:	264.00 °C. @ 760.00 mm Hg
Vapor Pressure:	0.010000 mmHg @ 25.00 °C. (est)
Flash Point:	257.00 °F. TCC ( 125.00 °C. )
logP (o/w):	4.764 (est)
Soluble in:
	alcohol
	water, 107.9 mg/L @ 25 °C (est)
Insoluble in:
	water

Organoleptic Properties:

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 3,6-dimethyl-1,2,4,5-tetrathiane usage levels up to:
	not for fragrance use.

Maximised Survey-derived Daily Intakes (MSDI-EU):		0.0024 (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/kg	maximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0):		0.20000	1.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0):		0.10000	0.50000
Edible ices, including sherbet and sorbet (03.0):		0.20000	1.00000
Processed fruit (04.1):		0.20000	1.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2):		-	-
Confectionery (05.0):		0.20000	1.00000
Chewing gum (05.3):		-	-
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0):		0.10000	0.50000
Bakery wares (07.0):		0.20000	1.00000
Meat and meat products, including poultry and game (08.0):		0.10000	0.20000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0):		0.10000	0.20000
Eggs and egg products (10.0):		-	-
Sweeteners, including honey (11.0):		-	-
Salts, spices, soups, sauces, salads, protein products, etc. (12.0):		0.10000	0.50000
Foodstuffs intended for particular nutritional uses (13.0):		0.20000	1.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1):		0.10000	0.30000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2):		0.20000	1.00000
Ready-to-eat savouries (15.0):		0.40000	2.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0):		0.10000	0.50000

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

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA ACToR:Toxicology Data

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :526613

National Institute of Allergy and Infectious Diseases:Data

3,6-dimethyl-1,2,4,5-tetrathiane

Chemidplus:0067411272

References:

	3,6-dimethyl-1,2,4,5-tetrathiane
NIST Chemistry WebBook:	Search Inchi
Pubchem (cid):	526613
Pubchem (sid):	11078026
Pherobase:	View

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
HMDB (The Human Metabolome Database):	Search
VCF-Online:	VCF Volatile Compounds in Food
ChemSpider:	View