2,5-dithiahexane 6628-18-8

2,5-dithiahexane

organoleptics properties safety references FEMA Index Home Page

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IUPAC name :

1,2-bis(methylsulfanyl)ethane

InChI :

InChI=1/C4H10S2/c1-5-3-4-6-2/h3-4H2,1-2H3

InChIKey :

UJTDKNZVLGVLFT-UHFFFAOYAK

SMILES :

CSCCSC

cas number :	6628-18-8
fema number :	4298
jecfa number :	1707
molar refractivity :	36.57 ± 0.3 cm3
parachor :	292.6 ± 4.0 cm3
index of refraction :	1.508 ± 0.02
surface tension :	32.5 ± 3.0 dyne/cm
density :	0.997 ± 0.06 g/cm3
polarizability :	14.49 ± 0.5 10-24cm3
XlogP :	2.30
molecular weight :	122.2522000
formula :	C4 H10 S2
BioActivity Analysis :	108538
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.

sulfurous dairy

properties :

appearence :

colorless to pale yellow clear liquid

assay :

99.00 to 100.00 %

Food Chemicals Codex Listed :

specific gravity :

1.03900 to 1.04900 @ 25.00 °C.

pounds per gallon - calc. :

8.646 to 8.729

refractive index :

1.52600 to 1.53300 @ 20.00 °C.

boiling point :

178.00 to 180.00 °C. @ 760.00 mm Hg

vapor pressure :

1.43000 mm/Hg @ 25.00 °C.

flash point :

139.00 °F. TCC ( 59.44 °C. )

logP (o/w) :

1.50

safety :

Oral Toxicity(LD50) :

Not determined

Dermal Toxicity(LD50) :

Not determined

Inhalation Toxicity(LC50) :

Not determined

safety in use :

recommendation for 2,5-dithiahexane usage levels up to :

0.0200 % in the fragrance concentrate.

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 :

beverages(nonalcoholic) :

beverages(alcoholic) :

breakfast cereal :

cheese :

chewing gum :

condiments / relishes :

0.02000

0.20000

confectionery froastings :

egg products :

0.02000

0.20000

fats / oils :

fish products :

0.02000

0.20000

frozen dairy :

0.02000

0.10000

fruit ices :

gelatins / puddings :

granulated sugar :

gravies :

0.02000

0.20000

hard candy :

imitation dairy :

instant coffee / tea :

jams / jellies :

meat products :

0.02000

0.20000

milk products :

0.01000

0.10000

nut products :

0.01000

0.10000

other grains :

poultry :

0.02000

0.20000

processed fruits :

processed vegetables :

0.01000

0.10000

reconstituted vegetables :

0.01000

0.10000

seasonings / flavors :

10.00000

50.00000

snack foods :

0.02000

0.10000

soft candy :

soups :

0.02000

0.10000

sugar substitutes :

sweet sauces :

safety references :

EPI System :

view

1,2-bis(methylsulfanyl)ethane

chemidplus :

006628188

EPA Substance Registry Services :

6628-18-8

dtp/nci :

60544

references :

1,2-bis(methylsulfanyl)ethane

jecfa number :

1707

NIST Chemistry WebBook :

3935551896

pubchem :

165693

other :

VCF-Online:

VCF Volatile Compounds in Food

synonyms :
1,2-bis(	methyl mercapto) ethane
1,2-bis(	methyl thio) ethane
1,2-bis(	methylsulfanyl)ethane
soluble in :
	alcohol
insoluble in :
	water
stability :
(odor and/or flavor) blends with :
	acetoin
	acetyl nonyryl
	butyl butyryl lactate
iso	butyl methyl ketone
	butyric acid
	coconut decanone
	dairy lactone
delta-	decalactone
2-	ethyl butyric acid
	heptanal 2,3-butane diol acetal
	methyl (Z)-5-octenoate
3-	methyl crotonic acid
4-	methyl octanoic acid
3-(	methyl thio) methyl thiophene
S-(	methyl thio) propionate
	nonanoic acid
delta-	octalactone
gamma-	octalactone
	propionic acid
delta-	tetradecalactone
2-	tridecanone
	vanillic acid
(odor and/or flavor) used in :
	butter
	cream
	cream ice cream
	cream sour cream
	custard
	dairy
	cheese ghee cheese
	milk
	milk buttermilk
	milk malted milk
	yogurt
natural occurrence in :
	found in nature

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