pyrrolidino-(1,2E)-4H-2,4-dimethyl-1,3,5-dithiazine 116505-60-3

pyrrolidino-(1,2E)-4H-2,4-dimethyl-1,3,5-dithiazine

organoleptics properties safety references FEMA Index Home Page

Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).

IUPAC name :

2,4-dimethyl-6,7,8,8a-tetrahydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine

InChI :

InChI=1/C8H15NS2/c1-6-9-5-3-4-8(9)11-7(2)10-6/h6-8H,3-5H2,1-2H3

InChIKey :

OJEOXDLLIADRBL-UHFFFAOYAQ

SMILES :

CC1N2CCCC2SC(S1)C

cas number :	116505-60-3
fema number :	4321
jecfa number :	1763
fl. number :	15.055
molar refractivity :	54.84 ± 0.4 cm3
parachor :	416.3 ± 6.0 cm3
index of refraction :	1.600 ± 0.03
surface tension :	45.7 ± 5.0 dyne/cm
density :	1.18 ± 0.1 g/cm3
polarizability :	21.74 ± 0.5 10-24cm3
XlogP :	2.00
molecular weight :	189.3414000 (IUPAC)
formula :	C8 H15 N S2
NMR Predictor :	Predict

export tariff code :

unspecified

fda reg :

unspecified

organoleptics :

odor strength :

high ,
recommend smelling in a 0.10 % solution or less

odor description :
at 0.10 % in propylene glycol.

meaty cooked roasted

properties :

appearence :

pale yellow to amber crystalline solid

assay :

95.00 to 100.00 %

Food Chemicals Codex Listed :

melting point :

130.00 °C. @ 760.00 mm Hg

boiling point :

235.00 °C. @ 760.00 mm Hg

flash point :

114.00 °F. TCC ( 45.56 °C. )

logP (o/w) :

2.37

safety :

Oral Toxicity(LD50) :

Not determined

Dermal Toxicity(LD50) :

Not determined

Inhalation Toxicity(LC50) :

Not determined

safety in use :

Maximised Survey-derived Daily Intakes (MSDI-EU) :

0.055 (μg/capita/day)

modified Theoretical Added Maximum Daily Intake (mTAMDI) :

160 (μg/person/day)

Threshold of concern :

90 (μg/person/day)

Structure Class :

III

recommendation for pyrrolidino-(1,2E)-4H-2,4-dimethyl-1,3,5-dithiazine usage levels up to :

not for fragrance use.

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 on the "LIBRARY" link.

publication number : 23

average usual ppm

average maximum ppm

baked goods :

0.02000

0.10000

beverages(nonalcoholic) :

beverages(alcoholic) :

breakfast cereal :

cheese :

0.02000

0.10000

chewing gum :

condiments / relishes :

0.02000

0.10000

confectionery froastings :

egg products :

fats / oils :

0.02000

0.10000

fish products :

0.02000

0.10000

frozen dairy :

fruit ices :

gelatins / puddings :

granulated sugar :

gravies :

0.02000

0.10000

hard candy :

imitation dairy :

instant coffee / tea :

jams / jellies :

meat products :

0.02000

0.10000

milk products :

nut products :

other grains :

poultry :

0.02000

0.10000

processed fruits :

processed vegetables :

reconstituted vegetables :

seasonings / flavors :

0.02000

0.10000

snack foods :

0.02000

0.10000

soft candy :

soups :

0.02000

0.10000

sugar substitutes :

sweet sauces :

Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFFA, 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 (EFFA, 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) :

0.40000

2.00000

Fats and oils, and fat emulsions (type water-in-oil) (02.0) :

0.20000

1.00000

Edible ices, including sherbet and sorbet (03.0) :

0.40000

2.00000

Processed fruit (04.1) :

0.30000

1.50000

Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2) :

Confectionery (05.0) :

0.40000

2.00000

Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0) :

0.20000

0.40000

Bakery wares (07.0) :

0.40000

2.00000

Meat and meat products, including poultry and game (08.0) :

0.10000

0.40000

Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0) :

0.10000

0.40000

Eggs and egg products (10.0) :

Sweeteners, including honey (11.0) :

Salts, spices, soups, sauces, salads, protein products, etc. (12.0) :

0.20000

1.00000

Foodstuffs intended for particular nutritional uses (13.0) :

0.40000

2.00000

Non-alcoholic ("soft") beverages, excl. dairy products (14.1) :

0.20000

1.00000

Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2) :

0.40000

2.00000

Ready-to-eat savouries (15.0) :

1.00000

5.00000

Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0) :

0.20000

1.00000

safety references :

European Food Safety Athority(efsa) :

Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...

EPI System :

view

2,4-dimethyl-6,7,8,8a-tetrahydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine

chemidplus :

116505-60-3

EPA Substance Registry Services :

116505-60-3

references :

2,4-dimethyl-6,7,8,8a-tetrahydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine

fl. number :

15.055

jecfa number :

1763

NIST Chemistry WebBook :

3612556949

pubchem :

11077003

other :

VCF-Online:

VCF Volatile Compounds in Food

synonyms :
2,4-	dimethyl tetrahydropyrrolo(2,1-d)(1,3,5)dithiazine
2,4-	dimethyl-1-aza-3,5-dithiabicyclo(4.3.0)nonane
2,4-	dimethyl-6,7,8,8a-tetrahydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine
2,4-	dimethyl(4H)pyrrolidino(1,2E)-1,3,5-dithiazine
	pyrrolidino-[1,2E]-4H-2,4-dimethyl-1,3,5-dithiazine
soluble in :
	alcohol
	water, very slightly
insoluble in :
	water
(odor and/or flavor) blends with :
5-	acetyl-2,3-dihydro-1,4-thiazine
S-	allyl-laevo-cysteine
2-	butyl-2-butenal
3,6-	diethyl-1,2,4,5-tetrathiane and 3,5-diethyl-1,2,4-trithiolane mixture
3-(	ethyl thio) butanol
(Z+E)-5-	ethyl-4-methyl-2-(2-butyl) thiazoline
(Z+E)-5-	ethyl-4-methyl-2-(2-methyl propyl) thiazoline
	lactoyl ethanolamine
	lactoyl ethanolamine phosphate
2-	methyl thiazolidine
(±)-3-(	methyl thio) heptanal
3-(	methyl thio) methyl thiophene
12-	methyl tridecanal
2-	methyl-1-methyl thio-2-butene
1-	phenyl-3(5)-propyl pyrazole
3-iso	propenyl pentane dioic acid
	propyl 2-mercaptopropionate
3-	thienyl mercaptan
2,4,6-	trithiaheptane 10% in triacetin
(odor and/or flavor) used in :
	meat
natural occurrence in :
	shellfish roasted shellfish
	squid

information only - not sold by The Good Scents Company.

Top of Page The Good Scents Company Home