methionyl butyrate
organoleptics  properties  safety  references    FEMA Index    Home Page
 
Right Click Jmol Molecule For More Options. (Safari 1.2 (v125) Compatible). Jmol is a free download found Here.
 
IUPAC name :3-methylsulfanylpropyl butanoate
InChI :InChI=1/C8H16O2S/c1-3-5-8(9)10-6-4-7-11-2/h3-7H2,1-2H3
InChIKey :HSCZLQOPSGMKTK-UHFFFAOYAQ
SMILES :CCCC(=O)OCCCSC
cas number :16630-60-7
(EINECS) number :240-680-8
fema number :4160
jecfa number :1668
molar refractivity :48.88 ± 0.3 cm3
parachor :425.8 ± 4.0 cm3
index of refraction :1.461 ± 0.02
surface tension :32.7 ± 3.0 dyne/cm
density :0.990 ± 0.06 g/cm3
polarizability :19.37 ± 0.5 10-24cm3
XlogP : 2.50
molecular weight : 176.2764400 (IUPAC)
formula :C8 H16 O2 S
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified

organoleptics :
odor description:
sulfurous cabbage

properties :
appearence :colorless clear liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.99500 to 1.00100 @ 25.00 °C.
pounds per gallon - calc. : 8.279 to 8.329
refractive index :1.45800 to 1.46300 @ 20.00 °C.
boiling point : 231.00 to 232.00 °C. @ 760.00 mm Hg
vapor pressure :0.03000 mm/Hg @ 25.00 °C.
flash point : 216.00  °F.  TCC  ( 102.22 °C. )
logP (o/w) : 2.36

safety :
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
 
recommendation for methionyl butyrate fragrance 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 : 2.000005.00000
beverages(nonalcoholic) : 1.000003.00000
beverages(alcoholic) : 1.000003.00000
breakfast cereal : 3.000005.00000
cheese : --
chewing gum : --
condiments / relishes : --
confectionery froastings : 2.000005.00000
egg products : --
fats / oils : --
fish products : --
frozen dairy : 2.000005.00000
fruit ices : 1.000003.00000
gelatins / puddings : 2.000005.00000
granulated sugar : 2.000005.00000
gravies : --
hard candy : 2.000005.00000
imitation dairy : --
instant coffee / tea : --
jams / jellies : 2.000005.00000
meat products : 5.000007.00000
milk products : 3.000005.00000
nut products : --
other grains : --
poultry : --
processed fruits : --
processed vegetables : --
reconstituted vegetables : --
seasonings / flavors : 200.00000500.00000
snack foods : --
soft candy : 2.000005.00000
soups : --
sugar substitutes : --
sweet sauces : --

safety references :
EPI System :view
 
 
 
 
3-methylsulfanylpropyl butanoate
(EINECS) number :240-680-8
chemidplus :016630607
EPA Substance Registry Services :16630-60-7

references :
 
3-methylsulfanylpropyl butanoate
jecfa number :1668
pubchem :662380

other :
VCF-Online: VCF Volatile Compounds in Food
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
 butyric acid 3-(methyl thio) propyl ester
3-(methyl thio) propyl butyrate
3-methyl thiopropyl butyrate
3-methylsulfanylpropyl butanoate

soluble in :
 alcohol

insoluble in :
 water

potential blenders :
 coffee difuranFL
 dimethyl disulfideFL
 dimethyl sulfideFL
 ethyl methyl sulfideFL
 mercaptoacetaldehydeFL
 methyl 4-(methyl thio) butyrateFL
 methyl benzyl disulfideFL
 methyl mercaptanFL
4-(methyl thio) butanolFL
S-(methyl thio) butyrateFL
2-(methyl thio) methyl-2-butenalFL
4-methyl thiobutyl isothiocyanateFL
5-methyl thiopentyl isothiocyanateFL
2-methyl-5-methoxythiazoleFL
isopropyl disulfideFL
 propyl mercaptanFL
 pyrazinyl ethane thiolFL
 tetrahydrothiopheneFL
S-tropical 2-thiobutyrateFL

potential uses :
 cabbage
 sauerkraut

natural occurrence in :
 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 © 1980-2010 The Good Scents Company Disclaimer Privacy Policy
Html Last modified 01/27/2010