4-mercapto-2-pentanone 1% in acetoin
organoleptics  properties  safety  references    FEMA Index    Home Page
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :4-sulfanylpentan-2-one
InChI :InChI=1/C5H10OS/c1-4(6)3-5(2)7/h5,7H,3H2,1-2H3
InChIKey :KHIPEWLRUGVKIC-UHFFFAOYAS
SMILES :CC(CC(=O)C)S
cas number :92585-08-5
% from :99.00%
fema number :4157
jecfa number :1670
fl. number :12.264
molar refractivity :33.09 ± 0.3 cm3
parachor :285.3 ± 4.0 cm3
index of refraction :1.452 ± 0.02
surface tension :29.3 ± 3.0 dyne/cm
density :0.964 ± 0.06 g/cm3
polarizability :13.12 ± 0.5 10-24cm3
XlogP : 1.00
molecular weight : 118.1973000
formula :C5 H10 O S
NMR Predictor :Predict
 
 
IUPAC name :3-hydroxybutan-2-one
InChI :InChI=1/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3
InChIKey :ROWKJAVDOGWPAT-UHFFFAOYAD
SMILES :CC(C(=O)C)O
cas number :513-86-0
% from :1.00%
(EINECS) number :208-174-1
beilstein number :0385636
fema number :2008
coe number :749
jecfa number :405
fl. number :07.051
molar refractivity :22.10 ± 0.3 cm3
parachor :210.4 ± 4.0 cm3
index of refraction :1.408 ± 0.02
surface tension :30.4 ± 3.0 dyne/cm
density :0.983 ± 0.06 g/cm3
polarizability :8.76 ± 0.5 10-24cm3
XlogP : -0.30
molecular weight : 88.1051200
formula :C4 H8 O2
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
organoleptics :
odor strength :high ,
recommend smelling in a 0.01 % solution or less
odor description :
at 0.01 % in propylene glycol.  		pungent meaty
properties :
appearence :colorless to yellow clear liquid
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
boiling point : 258.00 to 260.00 °C. @ 760.00 mm Hg
flash point : 137.00  °F.  TCC  ( 58.33 °C. )
logP (o/w) : 0.88
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) :2300.00 (μg/capita/day)
 
recommendation for 4-mercapto-2-pentanone 1% in acetoin 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 : 22
 average usual ppmaverage maximum ppm
baked goods : 10.0000030.00000
beverages(nonalcoholic) : 1.000005.00000
beverages(alcoholic) : 5.0000010.00000
breakfast cereal : --
cheese : 1.0000010.00000
chewing gum : --
condiments / relishes : 2.0000010.00000
confectionery froastings : --
egg products : --
fats / oils : 5.0000020.00000
fish products : --
frozen dairy : 5.0000010.00000
fruit ices : --
gelatins / puddings : --
granulated sugar : --
gravies : 2.0000010.00000
hard candy : 5.0000020.00000
imitation dairy : --
instant coffee / tea : --
jams / jellies : --
meat products : 3.0000020.00000
milk products : --
nut products : --
other grains : --
poultry : --
processed fruits : --
processed vegetables : 2.0000010.00000
reconstituted vegetables : --
seasonings / flavors : 5.0000030.00000
snack foods : 5.0000030.00000
soft candy : --
soups : 1.0000010.00000
sugar substitutes : --
sweet sauces : --
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
 
 
 
 4-sulfanylpentan-2-one
chemidplus :92585-08-5
EPA Substance Registry Services :92585-08-5
 
 
 3-hydroxybutan-2-one
(EINECS) number :208-174-1
RTECS :EL8790000 for 513-86-0
chemidplus :000513860
EPA Substance Registry Services :513-86-0
dtp/nci :7609
references :
 4-sulfanylpentan-2-one
fl. number :12.264
jecfa number :1670
NIST Chemistry WebBook :1810004792
pubchem :10544150
 3-hydroxybutan-2-one
fl. number :07.051
jecfa number :405
NIST Chemistry WebBook :3772668058
pubchem :153853
other :
synonyms :
4-mercaptopentan-2-one 1% in acetoin
4-sulfanylpentan-2-one 1% in acetoin
4,2-thiopentanone 1% in acetoin
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) blends with :
4-acetyl-2-methyl pyrimidine
4-allyl-2,6-dimethoxyphenol
4-aminobutyric acid
 amyl mercaptan
 bacon dithiazine
1,3-butane dithiol
2,3-butane dithiol
2-(2-butyl)-4,5-dimethyl-3-thiazoline
 butyraldehyde
 coffee difuran
 cyclopropyl (E,Z)-2,6-nonadienamide
2,5-diethyl thiazole
3,5-diethyl-2-methyl pyrazine
2,5-diethyl-3-methyl pyrazine
 difurfuryl sulfide
2,5-dihydroxy-1,4-dithiane
N-(2,4-dimethoxybenzyl)-N2-(2-(pyridin-2-yl)ethyl) oxalamide
N-(2-(3,4-dimethoxyphenyl)ethyl)-3,4-dimethoxycinnamic acid amide
2,5-dimethyl furan
 dimethyl tetrasulfide
2,6-dimethyl thiophenol
 dimethyl trisulfide
4,5-dimethyl-2-ethyl-3-thiazoline
3,7-dimethyl-2,6-octadien-1-yl cyclopropyl carboxamide
2,6-dimethyl-3-((2-methyl-3-furyl)thio)-4-heptanone
2,5-dimethyl-3-furan thiol
bis(2,5-dimethyl-3-furyl) disulfide
2,5-dimethyl-3-thiofuroyl furan
1,1-ethane dithiol 1% in ethanol
 ethyl (E,Z)-2,6-nonadienamide
S-ethyl 2-acetyl aminoethane thioate
 ethyl 3-mercaptopropionate
 ethyl 4-(acetyl thio) butyrate
S-ethyl thioacetate
(Z+E)-5-ethyl-4-methyl-2-(2-butyl) thiazoline
(Z+E)-5-ethyl-4-methyl-2-(2-methyl propyl) thiazoline
 fish thiol
 furfuryl isopropyl sulfide
4-furfuryl thio-2-pentanone
 hazelnut pyrazine
N-(heptan-4-yl)benzo(D)(1,3)dioxole-5-carboxamide
1,6-hexane dithiol
 hexyl mercaptan
 meaty dithiane
2-mercapto-3-pentanone
2-mercaptomethyl pyrazine
2-mercaptopropionic acid
N1-(2-methoxy-4-methyl benzyl)-N2-(2-(pyridin-2-yl)ethyl) oxalamide
N1-(2-methoxy-4-methyl benzyl)-N2-2(2-(5-methyl pyridin-2-yl)ethyl) oxalamide
 methyl 2-methyl-3-furyl disulfide
2-methyl 3-(methyl thio) furan 10% in triacetin
4-methyl 4-mercaptopentan-2-one 1% in pg
 methyl dihydrofuran thiol
4-methyl nonanoic acid
2-methyl pyrazine
2-methyl thiazolidine
2-(methyl thio) ethanol
12-methyl tridecanal
2-methyl-1-methyl thio-2-butene
3-methyl-2-butane thiol
2-methyl-3-(methyl thio) pyrazine
2-methyl-3-furyl tetrasulfide
bis(2-methyl-3-furyl) disulfide
S-(2-methyl-3-furyl) ethane thioate
3-((2-methyl-3-furyl)thio)-4-heptanone
4-((2-methyl-3-furyl)thio)-5-nonanone
2-methyl-3-tetrahydrofuran thiol
2-naphthyl mercaptan
1,9-nonane dithiol
 nutty thiazole
1,8-octane dithiol
 peanut dithiazine
1-phenethyl mercaptan
1,3-propane dithiol
2-propionyl-2-thiazoline
 propyl 2-mercaptopropionate
 propyl 2-methyl-3-furyl disulfide
isopropyl disulfide
isopropyl mercaptan
 pyrazinyl ethane thiol
2-pyridinyl methane thiol
 pyrrolidino-(1,2E)-4H-2,4-dimethyl-1,3,5-dithiazine
 roasted butanol
 rum ether
 sulfuryl acetate
3-tetrahydrothiophenone
 thialdine
 thiazole
3-thienyl mercaptan
1-(2-thienyl) butanone
ortho-thiocresol
 thioguaiacol
 tyramine
(odor and/or flavor) used in :
 bacon
 beef
 beef roasted beef
 chicken
 ham
 lamb
 liver
 meat
 meat grilled meat
 meat roasted meat
 meat smoked meat
 pork
 salami
 turkey
natural occurrence in :
not found in nature



information only - not sold by The Good Scents Company.


Please share your Information / Comments.

Your email Address:


Top of Page          The Good Scents Company Home
Copyright © 1980-2009 The Good Scents Company Disclaimer Privacy Policy
Html Last modified 08/05/2009