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

1,4-dithiane
tetrahydro-1,4-dithiane

Supplier Sponsors

Name:1,4-dithiane
CAS Number: 505-29-3Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:208-007-2
FDA UNII:3274B1T5A0
Nikkaji Web:J6.222G
Beilstein Number:102553
MDL:MFCD00006658
XlogP3-AA:1.30 (est)
Molecular Weight:120.23776000
Formula:C4 H8 S2
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome or firefox)
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
JECFA Food Flavoring:456 1,4-dithiane
FLAVIS Number:15.066 (Old)
DG SANTE Food Flavourings:15.066 1,4-dithiane
FEMA Number:3831 1,4-dithiane
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):505-29-3 ; 1,4-DITHIANE
 
Physical Properties:
Appearance:pale yellow crystalline powder (est)
Assay: 97.00 to 100.00
Food Chemicals Codex Listed: No
Melting Point: 107.00 to 113.00 °C. @ 760.00 mm Hg
Boiling Point: 199.00 to 200.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.459000 mmHg @ 25.00 °C. (est)
Flash Point: 179.00 °F. TCC ( 81.67 °C. )
logP (o/w): 0.112 (est)
Soluble in:
 alcohol, hot
 oils
 water, 2.204e+004 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: seafood
Odor Strength:high ,
recommend smelling in a 0.10 % solution or less
sulfurous solvent garlic onion fermented mushroom
Odor Description:at 0.10 % in propylene glycol. sulfurous solvent garlic onion pyridine
seafood solvent garlic onion fermented
Odor Description:at 0.10 %. Seafood-like, solvent, garlic and onion, pyridine like
Mosciano, Gerard P&F 24, No. 6, 10, (1999)
Flavor Type: seafood
onion garlic
Taste Description: onion garlic
seafood clam oyster fermented garlic onion mushroom turkey
Taste Description: at 0.50 - 10.00 ppm. Seafood-like, clam and oyster fermented garlic and onion, mushroom and turkey
Mosciano, Gerard P&F 24, No. 6, 10, (1999)
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Beijing Lys Chemicals
1,4-Dithiane
BOC Sciences
For experimental / research use only.
1,4-Dithiane 95%
Penta International
1,4-DITHIANE
R C Treatt & Co Ltd
1,4-Dithiane
NI, Kosher
Santa Cruz Biotechnology
For experimental / research use only.
1,4-Dithiane 97%
Sigma-Aldrich: Aldrich
For experimental / research use only.
1,4-Dithiane 97%
Synerzine
1,4-Dithiane
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
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:
oral-rat LD50 2768 mg/kg
Mosciano, Gerard P&F 24, No. 6, 10, (1999)

oral-rat LD50 2768 mg/kg
BEHAVIORAL: TREMOR LUNGS, THORAX, OR RESPIRATION: DYSPNEA BEHAVIORAL: ATAXIA
National Technical Information Service. Vol. AD-A172-647

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavoring agents
Recommendation for 1,4-dithiane usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): ND (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: 18
 average usual ppmaverage maximum ppm
baked goods: 0.200008.00000
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: 0.020002.00000
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: 20.0000020.00000
snack foods: --
soft candy: --
soups: 0.020001.00000
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 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

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

EPI System: View
EPA-Iris:IRIS
NLM Hazardous Substances Data Bank:Search
Chemical Carcinogenesis Research Information System:Search
Cancer Citations:Search
Toxicology Citations:Search
Env. Mutagen Info. Center:Search
EPA Substance Registry Services (TSCA):505-29-3
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :10452
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
1,4-dithiane
Chemidplus:0000505293
RTECS:JO5069000 for cas# 505-29-3
 
References:
 1,4-dithiane
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):10452
Pubchem (sid):134976290
 
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
KEGG (GenomeNet):C01871
HMDB (The Human Metabolome Database):HMDB31474
FooDB:FDB008047
Export Tariff Code:2934.90.5000
Haz-Map:View
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
RSC Learn Chemistry:View
FAO:1,4-Dithiane
 
Potential Blenders and core components note
For Odor
No odor group found for these
satinaldehyde
FL/FR
alcoholic
alcoholic
fusel oil
FL/FR
propyl alcohol
FL/FR
alliaceous
dibutyl sulfide
FL/FR
methyl furfuryl disulfide
FL/FR
balsamic
cinnamyl alcohol
FL/FR
cheesy
iso
valeric acid
FL/FR
chocolate
2-
methyl butyraldehyde
FL/FR
creamy
butyl lactate
FL/FR
earthy
1-
octen-3-one
FL/FR
ethereal
iso
amyl acetoacetate
FL/FR
2,6-
dimethyl-4-heptanol
FL/FR
fermented
iso
amyl alcohol
FL/FR
amyl alcohol
FL/FR
butyl laevo-lactate
FL/FR
ethyl (E)-2-crotonate
FL/FR
2-
pentanol
FL/FR
valeraldehyde
FL/FR
floral
cyclamen aldehyde
FL/FR
dihydrojasmone lactone
FL/FR
hyacinth acetals
FL/FR
linalool oxide
FL/FR
ocean propanal
FL/FR
iso
propyl phenyl acetate
FL/FR
fruity
acetaldehyde diisoamyl acetal
FL/FR
allyl butyrate
FL/FR
butyl acetoacetate
FL/FR
butyl hexanoate
FL/FR
geranyl acetoacetate
FL/FR
methyl butyrate
FL/FR
2-
pentanone
FL/FR
green
2-sec-
butyl-3-methoxypyrazine
FL/FR
1-
heptanol
FL/FR
(Z)-4-
heptenal diethyl acetal
FL/FR
3,6-
nonadien-1-ol
FL/FR
herbal
white
cognac oil
FL/FR
honey
propyl phenyl acetate
FL/FR
mossy
oakmoss absolute
FL/FR
nutty
2-
ethyl pyrazine
FL/FR
spicy
cinnamyl isovalerate
FL/FR
ethyl vinyl ketone
FL/FR
sulfurous
ethyl 2-mercaptopropionate
FL/FR
ethyl methyl mercaptopropionate
FL/FR
ferula assa-foetida absolute
FL/FR
fish thiol
FL/FR
2-
methyl 5-(methyl thio) furan
FL/FR
2-(
methyl thio) phenol
FL/FR
4-
tropical oxathiane
FL/FR
waxy
ethyl palmitate
FL/FR
tetradecanal
FL/FR
For Flavor
No flavor group found for these
acetaldehyde diisoamyl acetal
FL/FR
2-
acetyl-1-pyrroline
FL
allyl methyl disulfide
FL
allyl methyl trisulfide
FL
allyl propyl trisulfide
FL
amyl amine
FL
butyl acetoacetate
FL/FR
(±)-sec-
butyl amine
FL
iso
butyl amine
FL
butyl amine
FL
diethyl trisulfide
FL
2,6-
dimethyl-4-heptanol
FL/FR
dipropyl sulfide
FL
ethyl amine
FL
ethyl methyl trisulfide
FL
ethyl propyl disulfide
FL
ethyl propyl trisulfide
FL
furfuryl propyl disulfide
FL
geranyl acetoacetate
FL/FR
hexyl amine
FL
2-
methyl butyl amine
FL
methyl butyl sulfide
FL
iso
pentylidene isopentyl amine
FL
phenethyl amine
FL
propionyl pyrroline 1% in vegatable oil triglyceride
FL
iso
propyl amine
FL
1-
pyrroline
FL
thiophene
FL
(R)-N,N,alpha-
trimethyl benzyl amine
FL
tripropyl amine
FL
acetic
acetic
formic acid
FL
alcoholic
propyl alcohol
FL/FR
alliaceous
allyl disulfide
FL
allyl mercaptan
FL
allyl thiopropionate
FL
benzyl mercaptan
FL
cyclopentyl mercaptan
FL
dicyclohexyl disulfide
FL
2-
methyl thioacetaldehyde
FL
3-
tetrahydrothiophenone
FL
truffle sulfide
FL
ammoniacal
2-
methyl piperidine
FL
pyrrolidine
FL
aromatic
hyacinth acetals
FL/FR
bitter
paullinia cupana seed extract
FL
buttery
butyl laevo-lactate
FL/FR
cheesy
iso
valeric acid
FL/FR
cocoa
butyraldehyde
FL
coffee
diisoamyl thiomalate
FL
methyl furfuryl disulfide
FL/FR
dairy
butyl lactate
FL/FR
earthy
1-
octen-3-one
FL/FR
fatty
tetradecanal
FL/FR
fermented
methyl thio isovalerate
FL
fishy
4,5-
dimethyl thiazole
FL
3-
penten-2-one
FL
trimethyl amine
FL
floral
ocean propanal
FL/FR
satinaldehyde
FL/FR
fruity
iso
amyl acetoacetate
FL/FR
butyl hexanoate
FL/FR
cinnamyl isovalerate
FL/FR
furfuryl valerate
FL
fusel oil
FL/FR
2-
pentanone
FL/FR
4-
tropical oxathiane
FL/FR
fusel
amyl alcohol
FL/FR
iso
amyl alcohol
FL/FR
white
cognac oil
FL/FR
2-
methyl butyraldehyde
FL/FR
methyl butyrate
FL/FR
garlic
allyl methyl sulfide
FL
garlic oleoresin
FL
green
allyl butyrate
FL/FR
cinnamyl alcohol
FL/FR
cyclamen aldehyde
FL/FR
dibutyl sulfide
FL/FR
(Z)-4-
heptenal diethyl acetal
FL/FR
linalool oxide
FL/FR
3,6-
nonadien-1-ol
FL/FR
oakmoss absolute
FL/FR
honey
propyl phenyl acetate
FL/FR
iso
propyl phenyl acetate
FL/FR
meaty
(R,S)-2-
mercapto-3-butanol
FL
2-(
methyl thio) phenol
FL/FR
bis(2-
methyl-3-furyl) disulfide
FL
ortho-
thiocresol
FL
musty
ethyl (E)-2-crotonate
FL/FR
2-
methyl 5-(methyl thio) furan
FL/FR
2-
pentanol
FL/FR
nutty
2-
ethyl pyrazine
FL/FR
onion
ethyl 2-mercaptopropionate
FL/FR
methionol
FL
methyl propyl disulfide
FL
methyl propyl trisulfide
FL
propyl thioacetate
FL
roasted
ethyl 3-(furfuryl thio) propionate
FL
solvent
1-
heptanol
FL/FR
spicy
ethyl vinyl ketone
FL/FR
sulfurous
allyl sulfide
FL
butyl mercaptan
FL
diallyl polysulfides
FL
diallyl tetrasulfide
FL
ethyl methyl mercaptopropionate
FL/FR
S-
ethyl thioacetate
FL
ferula assa-foetida absolute
FL/FR
fish thiol
FL/FR
furfuryl methyl sulfide
FL
furfuryl thiopropionate
FL
3-
mercapto-2-methyl pentanal
FL
methyl 4-(methyl thio) butyrate
FL
potato butanone
FL
vegetable
2-sec-
butyl-3-methoxypyrazine
FL/FR
potato butyraldehyde
FL
waxy
dihydrojasmone lactone
FL/FR
ethyl palmitate
FL/FR
winey
valeraldehyde
FL/FR
 
Potential Uses:
FLclam
FLgarlic
FLhorseradish
FLmushroom
FLoyster
FLprawn
FLturkey
FLvegetable
 
Occurrence (nature, food, other):note
 found in nature
 
Synonyms:
 diethylene disulfide
p-dithane
1,4-dithiacyclohexane
1,4-dithian
p-dithiane
para-dithiane
 seafood dithiane
 tetrahydro-1,4-dithiane
 tetrahydro-1,4-dithiin
 tetrahydro-para-dithiane
 
 
Notes:
organo-sulfur chemical associated with production & storage of munitions; may be a ground water contaminant. Food additive listed in the EAFUS food additive database (Jan. 2001). Flavouring used in seasonings
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