(Z+E)-2,5-dimethyl-3-tetrahydrofuran thiol
 
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IUPAC name :2,5-dimethyltetrahydrofuran-3-thiol
InChI :InChI=1/C6H12OS/c1-4-3-6(8)5(2)7-4/h4-6,8H,3H2,1-2H3
InChIKey :WBELUTNLJPCIHS-UHFFFAOYAL
SMILES :CC1CC(S)C(C)O1
cas number :26486-21-5
fema number :3971
jecfa number :1091
fl. number :13.193
molar refractivity :37.30 ± 0.4 cm3
parachor :307.8 ± 6.0 cm3
index of refraction :1.478 ± 0.03
surface tension :29.9 ± 5.0 dyne/cm
density :1.00 ± 0.1 g/cm3
polarizability :14.78 ± 0.5 10-24cm3
molecular weight : 132.2238800
formula :C6 H12 O S
 
 
export tariff code :unspecified
fda reg :unspecified
 

organoleptics :
odor type :sulfurous
odor strength :high ,
recommend smelling in a 0.10 % solution or less
odor description :
at 0.10 % in propylene glycol.  
sulfury roasted meat onion

properties :
appearence :pale yellow to amber yellow clear liquid
assay : 96.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :1.04000 to 1.04800 @ 20.00 °C.
pounds per gallon - calc. : 8.664 to 8.731
refractive index :1.47700 to 1.48400 @ 20.00 °C.
boiling point : 175.00 °C. @ 25.00 mm Hg
boiling point : 173.00 to 174.00 °C. @ 760.00 mm Hg
logp : 1.11

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
flash point ( Deg. F. ) : 137.00  °F.  TCC  ( 58.33 °C. )
recommendation for (Z+E)-2,5-dimethyl-3-tetrahydrofuran thiol 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).
publication number : 20.
3971 average usual ppmaverage maximum ppm
baked goods : 0.400000.80000
beverages(nonalcoholic) : 0.200000.40000
beverages(alcoholic) : 0.200000.40000
breakfast cereal : --
cheese : --
chewing gum : 1.000002.00000
condiments / relishes : 0.200000.40000
confectionery froastings : --
egg products : --
fats / oils : --
fish products : --
frozen dairy : 0.600000.60000
fruit ices : 0.200000.40000
gelatins / puddings : --
granulated sugar : --
gravies : 0.100000.20000
hard candy : 0.400000.80000
imitation dairy : --
instant coffee / tea : --
jams / jellies : --
meat products : --
milk products : 0.200000.40000
nut products : --
other grains : --
poultry : --
processed fruits : --
processed vegetables : --
reconstituted vegetables : --
seasonings / flavors : --
snack foods : 0.200000.40000
soft candy : 0.300000.60000
soups : 0.200000.40000
sugar substitutes : --
sweet sauces : --

safety links :
 
 
chemidplus :26486-21-5
EPA Substance Registry Services :26486-21-5
NLM Chemical Carcinogenesis Research Information System :26486-21-5
NLM Developmental and Reproductive Toxicity :26486-21-5
NLM Env. Mutagen Info. Center :26486-21-5
NLM GENetic TOXicology :26486-21-5
EPI System :view

other :

references :
jecfa number :1091
fl. number :13.193
pubchem :26486-21-5
synonyms :
(Z+E)-2,5-dimethyl tetrahydrofuran-3-thiol
(Z+E)-2,5-dimethyl-3-mercaptotetrahydrofuran
(Z+E)-2,5-dimethyl-3-tetrahydrofuran thiol
 tetrahydro-2,5-dimethyl furan-3-thiol

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) blends with :
 allyl mercaptan
2,6-dimethyl thiophenol
3,7-dimethyl-2,6-octadien-1-yl cyclopropyl carboxamide
2,5-dimethyl-3-thiofuroyl furan
1,1-ethane dithiol 1% in ethanol
3-mercapto-2-pentanone
2-mercapto-3-pentanone
 methyl 2-methyl-3-furyl disulfide
2-(methyl thio) methyl-2-butenal
2-methyl-1-methyl thio-2-butene
2-methyl-3-(methyl thio) pyrazine
bis(2-methyl-3-furyl) disulfide
S-(2-methyl-3-furyl) ethane thioate
3-((2-methyl-3-furyl)thio)-4-heptanone
 nutty thiazole
 propyl 2-mercaptopropionate
2-pyridinyl methane thiol
 roasted butanol
 thialdine

(odor and/or flavor) used in :
 meat

natural occurrence in :
not found in nature



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Html Last modified 11/25/2008