bis(2-methyl-3-furyl) disulfide 28588-75-2

bis(2-methyl-3-furyl) disulfide

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IUPAC name :

2-methyl-3-(2-methylfuran-3-yl)disulfanylfuran

InChI :

InChI=1/C10H10O2S2/c1-7-9(3-5-11-7)13-14-10-4-6-12-8(10)2/h3-6H,1-2H3

InChIKey :

OHDFENKFSKIFBJ-UHFFFAOYAZ

SMILES :

CC1=C(C=CO1)SSC2=C(OC=C2)C

cas number :	28588-75-2
(EINECS) number :	249-095-2
fema number :	3259
coe number :	723
jecfa number :	1066
fl. number :	13.016
molar refractivity :	61.70 ± 0.4 cm3
parachor :	469.2 ± 6.0 cm3
index of refraction :	1.622 ± 0.03
surface tension :	51.7 ± 5.0 dyne/cm
density :	1.29 ± 0.1 g/cm3
polarizability :	24.46 ± 0.5 10-24cm3
XlogP :	2.20
molecular weight :	226.3152000
formula :	C10 H10 O2 S2

export tariff code :

2932.19.0000

fda reg :

unspecified

Suppliers :

Advanced Biotech :

bis (2-methyl 3-furyl) disulfide
1% min. (in triethyl citrate) natural
Odor: Roasted

Fontarome :

Bis (2-METHYL-3-FURYL) DISULFIDE
Odor: Roast meat

Frutarom :

BIS(2-METHYL-3-FURYL)DISULPHIDE
≥98.00%, NI, Kosher
Odor: Beefy, Cooked, Meaty

Penta :

bis(2-methyl-3-furyl) disulfide

Sigma-Aldrich-SAFC :

Bis(2-methyl-3-furyl)disulfide
98%

organoleptics :

odor type :

meaty

odor strength :

high ,
recommend smelling in a 0.10 % solution or less

odor description :
at 0.10 % in propylene glycol.

meaty roasted scallion onion sulfury

properties :

appearence :

pale yellow to amber clear liquid

assay :

98.00 to 100.00 %

Food Chemicals Codex Listed :

specific gravity :

1.20700 to 1.21500 @ 20.00 °C.

pounds per gallon - calc. :

10.055 to 10.122

refractive index :

1.57200 to 1.58300 @ 20.00 °C.

boiling point :

277.00 to 280.00 °C. @ 760.00 mm Hg

flash point :

> 210.00 °F. TCC ( > 98.89 °C. )

logP (o/w) :

3.65

shelf life :

12.00 month(s) or longer if stored properly.

storage :

refrigerate in tightly sealed containers.

safety :

most important hazard(s) :

Xi - Irritant

R 36/38 - Irritating to skin and eyes.
R 41 - Risk of serious damage to eyes.
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.

Oral Toxicity(LD50) :

Gavage-Mouse [sex: M,F] 106.00 mg/kg
(Oser, 1969b)

Dermal Toxicity(LD50) :

Not determined

Inhalation Toxicity(LC50) :

Not determined

safety in use :

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

0.27 (μg/capita/day)

recommendation for bis(2-methyl-3-furyl) disulfide usage levels up to :

not for fragrance use.

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

Canada Domestic Sub. List :

Yes

EPA Chem. Sub. Inventory :

Yes

WGK Germany :

2-methyl-3-(2-methylfuran-3-yl)disulfanylfuran

(EINECS) number :

249-095-2

chemidplus :

028588752

EPA Substance Registry Services :

28588-75-2

references :

2-methyl-3-(2-methylfuran-3-yl)disulfanylfuran

fl. number :

13.016

jecfa number :

1066

NIST Chemistry WebBook :

4099087506

pubchem :

10517056

other :

VCF-Online:

VCF Volatile Compounds in Food

synonyms :
3,3-	dithio-2,2-dimethyl difuran
3,3-	dithiobis(2-methyl furan)
3,3'-	dithiobis(2-methyl furan)
2-	methyl-3-(2-methylfuran-3-yl)disulfanylfuran
2-	methyl-3-furyl disulfide
soluble in :
	alcohol
insoluble in :
	water
(odor and/or flavor) blends with :
	benzyl methyl sulfide
1,2-	butane dithiol
	celery seed oleoresin
2,5-	dihydroxy-1,4-dithiane
2,5-	dimethyl furan
2,5-	dimethyl pyrazine
2,6-	dimethyl pyrazine
2,4-	dimethyl thiazole
2,6-	dimethyl thiophenol
3,7-	dimethyl-2,6-octadien-1-yl cyclopropyl carboxamide
2,4-	dimethyl-3-oxazoline
(Z+E)-2,5-	dimethyl-3-tetrahydrofuran thiol
(Z+E)-2,5-	dimethyl-3-thioacetoxytetrahydrofuran
2,5-	dimethyl-3-thiofuroyl furan
1,1-	ethane dithiol 1% in ethanol
	meaty dithiane
3-	mercapto-2-butanone
(R,S)-2-	mercapto-3-butanol
2-	mercapto-3-pentanone
	methyl 2-methyl-3-furyl disulfide
2-	methyl 3-(methyl thio) furan 10% in triacetin
12-	methyl tridecanal
2-	methyl-1-methyl thio-2-butene
3-	methyl-2-butane thiol
2-	methyl-3-(methyl thio) pyrazine
S-(2-	methyl-3-furyl) ethane thioate
3-((2-	methyl-3-furyl)thio)-4-heptanone
2-	methyl-3-tetrahydrofuran thiol
2-	naphthyl mercaptan
	nutty thiazole
	propyl 2-mercaptopropionate
iso	propyl mercaptan
2-	pyridinyl methane thiol
	roasted butanol
	sulfurol
	sulfuryl acetate
	thialdine
1-(2-	thienyl) butanone
2,4,5-	trimethyl oxazole
(odor and/or flavor) used in :
	beef
	broth
	chocolate cocoa
	coffee
	garlic
	meat roasted meat
	nut peanut butter
	onion
natural occurrence in :
	beef cooked beef
	tea

information only - not sold by The Good Scents Company.

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