2,5-dithiahexane 6628-18-8

2,5-dithiahexane

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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

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

logp :

1.50

safety :

Oral Toxicity(LD50) :

Not determined

Dermal Toxicity(LD50) :

Not determined

flash point ( Deg. F. ) :

139.00 °F. TCC ( 59.44 °C. )

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).

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

NLM Chemical Carcinogenesis Research Information System :

6628-18-8

NLM Developmental and Reproductive Toxicity :

6628-18-8

NLM Env. Mutagen Info. Center :

6628-18-8

NLM GENetic TOXicology :

6628-18-8

dtp/nci :

60544

references :

1,2-bis(methylsulfanyl)ethane

jecfa number :

1707

pubchem :

165693

NIST Chemistry WebBook :

3935551896

other :

synonyms :
2,5-	dithiahexane
1,2-bis(	methyl mercapto) ethane
1,2-bis(	methyl thio) 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
	ghee
	milk
	milk buttermilk
	milk malted milk
	yogurt
natural occurrence in :
	found in nature

information only - not sold by The Good Scents Company.

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