2-methyl-2-buten-1-ol
 
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IUPAC name :(E)-2-methylbut-2-en-1-ol
InChI :InChI=1/C5H10O/c1-3-5(2)4-6/h3,6H,4H2,1-2H3/b5-3+
InChIKey :NEJDKFPXHQRVMV-HWKANZROBQ
SMILES :C\C=C(/C)\CO
(EINECS) number :225-127-0
cas number :4675-87-0
fema number :4178
coe number :10258
jecfa number :1617
fl. number :02.174
molar refractivity :26.64 ± 0.3 cm3
parachor :231.2 ± 4.0 cm3
index of refraction :1.435 ± 0.02
surface tension :26.4 ± 3.0 dyne/cm
density :0.844 ± 0.06 g/cm3
polarizability :10.56 ± 0.5 10-24cm3
xlogp : 0.50
molecular weight : 86.1323000
formula :C5 H10 O
 
 
export tariff code :unspecified
fda reg :unspecified
 
 

organoleptics :
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description :
at 10.00 % in dipropylene glycol.  
green oily

properties :
appearence :colorless clear liquid
assay : 98.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.86300 - 0.86900 @ 25.00 °C.
pounds per gallon - calc. : 7.181 to 7.231
refractive index :1.43900 - 1.44500 @ 20.00 °C.
boiling point : 136.00 - 138.00 °C. @ 760.00 mm Hg
logp : 1.24

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 122.00  °F.  TCC  ( 50.00 °C. )
  
recommendation for 2-methyl-2-buten-1-ol usage levels up to :
  0.5000 % 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 : 22.
4178 average usual ppmaverage maximum ppm
baked goods : 10.0000050.00000
beverages(nonalcoholic) : 5.0000025.00000
beverages(alcoholic) : --
breakfast cereal : 5.0000025.00000
cheese : 7.0000035.00000
chewing gum : --
condiments / relishes : 5.0000025.00000
confectionery froastings : 10.0000050.00000
egg products : --
fats / oils : 5.0000025.00000
fish products : 2.0000010.00000
frozen dairy : 7.0000035.00000
fruit ices : 10.0000050.00000
gelatins / puddings : 5.0000025.00000
granulated sugar : --
gravies : 20.00000100.00000
hard candy : --
imitation dairy : 7.0000035.00000
instant coffee / tea : --
jams / jellies : 5.0000025.00000
meat products : 2.0000010.00000
milk products : 7.0000035.00000
nut products : --
other grains : 5.0000025.00000
poultry : 2.0000010.00000
processed fruits : 7.0000035.00000
processed vegetables : --
reconstituted vegetables : --
seasonings / flavors : 5.0000025.00000
snack foods : 10.0000050.00000
soft candy : --
soups : 5.0000025.00000
sugar substitutes : --
sweet sauces : 5.0000025.00000

safety links :
(EINECS) number :225-127-0
chemidplus :004675870
epa-srs :4675-87-0
  

other :
 

references :
jecfa number :1617
fl. number :02.174
pubchem :163596
  
synonyms :
2-methyl but-2-en-1-ol
2-methyl-2-buten-1-ol
2-methyl-2-butenol
2-methylbut-2-en-1-ol
 tiglyl alcohol
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) blends with :
 bark carbaldehyde
 coriander heptenol
 gardenia pentyl acetate
(E,E)-2,4-heptadien-1-al
delta-heptalactone
1-hepten-3-ol
 heptyl octanoate
(Z)-3-hexen-1-yl pyruvate
 hexyl tiglate
 methyl epi-jasmonate
 methyl jasmonate
(E)-6-methyl-3-hepten-2-one
 nerolidyl isobutyrate
1-octen-3-ol
 octyl butyrate
 privet dioxane
isopropyl 2-methyl butyrate
 sorbyl acetate
 valencene
 violet decenol
 violet leaf absolute
(odor and/or flavor) used in :
 algae
natural occurrence in :
data pagecoffee
data pagenarcissus absolute @ 0.09%



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Html Last modified 11/13/2008