2-methyl-1-butanol
 
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IUPAC name :2-methylbutan-1-ol
InChI :InChI=1/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3
InChIKey :QPRQEDXDYOZYLA-UHFFFAOYAW
SMILES :CCC(C)CO
(EINECS) number :205-289-9
cas number :137-32-6
beilstein number :1718810
fema number :3998
coe number :2346
jecfa number :1199
fl. number :02.076
molar refractivity :26.70 ± 0.3 cm3
parachor :245.1 ± 4.0 cm3
index of refraction :1.405 ± 0.02
surface tension :25.6 ± 3.0 dyne/cm
density :0.809 ± 0.06 g/cm3
polarizability :10.58 ± 0.5 10-24cm3
xlogp : 1.10
molecular weight : 88.1481800
formula :C5 H12 O
 
 
IUPAC name :(2R)-2-methylbutan-1-ol
InChI :InChI=1/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3/t5-/m1/s1
InChIKey :QPRQEDXDYOZYLA-RXMQYKEDBU
SMILES :CC[C@@H](C)CO
cas number :137-32-6
molar refractivity :26.70 ± 0.3 cm3
parachor :245.1 ± 4.0 cm3
index of refraction :1.405 ± 0.02
surface tension :25.6 ± 3.0 dyne/cm
density :0.809 ± 0.06 g/cm3
polarizability :10.58 ± 0.5 10-24cm3
xlogp : 1.10
molecular weight : 88.1481800
formula :C5 H12 O
 
 
IUPAC name :(2S)-2-methylbutan-1-ol
InChI :InChI=1/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3/t5-/m0/s1
InChIKey :QPRQEDXDYOZYLA-YFKPBYRVBC
SMILES :CC[C@H](C)CO
cas number :1565-80-6
beilstein number :1718809
molar refractivity :26.70 ± 0.3 cm3
parachor :245.1 ± 4.0 cm3
index of refraction :1.405 ± 0.02
surface tension :25.6 ± 3.0 dyne/cm
density :0.809 ± 0.06 g/cm3
polarizability :10.58 ± 0.5 10-24cm3
xlogp : 1.10
molecular weight : 88.1481800
formula :C5 H12 O
 
 
export tariff code :unspecified
fda reg :unspecified
 
Suppliers :
Cargill - Alfrebro :2-METHYL-1-BUTANOL (EU NAT)
 natural, Kosher
 
Sigma-Aldrich-SAFC :2-Methyl-1-butanol
 ≥99%
 
 
organoleptics :
odor type :fruity
odor strength :medium
odor description :
at 100.00 %.  		roasted wine onion fruity
properties :
appearence :colorless clear liquid
assay : 99.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.81500 - 0.82000 @ 25.00 °C.
pounds per gallon - calc. : 6.782 to 6.823
refractive index :1.40900 - 1.41200 @ 20.00 °C.
boiling point : 128.00 - 130.00 °C. @ 760.00 mm Hg
acid value : 1.00  max.  KOH/g
logp : 1.29
safety :
most important hazard(s) : Xn - Harmful.
  
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Skin-Rabbit  3540.00  ul/kg    
  
flash point ( Deg. F. ) : 110.00  °F.  TCC  ( 43.33 °C. )
  
recommendation for 2-methyl-1-butanol 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.
3998 average usual ppmaverage maximum ppm
baked goods : 2.000009.00000
beverages(nonalcoholic) : 0.100002.00000
beverages(alcoholic) : 0.200004.00000
breakfast cereal : --
cheese : --
chewing gum : 2.0000015.00000
condiments / relishes : --
confectionery froastings : 0.300002.00000
egg products : 0.300002.00000
fats / oils : 0.5000015.00000
fish products : --
frozen dairy : 1.500008.00000
fruit ices : 0.800005.00000
gelatins / puddings : 0.200002.00000
granulated sugar : --
gravies : 0.300002.50000
hard candy : 0.300003.00000
imitation dairy : --
instant coffee / tea : 0.100001.00000
jams / jellies : 0.400004.00000
meat products : --
milk products : 0.100001.00000
nut products : --
other grains : --
poultry : --
processed fruits : --
processed vegetables : --
reconstituted vegetables : --
seasonings / flavors : 0.300002.50000
snack foods : 0.400004.00000
soft candy : 0.400004.00000
soups : 0.200002.00000
sugar substitutes : --
sweet sauces : --
safety links :
(EINECS) number :205-289-9
rtecs :EL5250000 for 137-32-6
chemidplus :000137326
epa-srs :137-32-6
dtp/nci :8431
  
chemidplus :137-32-6
epa-srs :137-32-6
  
chemidplus :1565-80-6
epa-srs :1565-80-6
  
other :
 
references :
jecfa number :1199
fl. number :02.076
pubchem :151880
NIST Chemistry WebBook :2955324852
  
pubchem :43759877
  
pubchem :2005805
  
synonyms :
sec-butyl carbinol
 di-sec-butyl carbinol
2-methyl butan-1-ol
2-methyl butanol
2-methyl butyl alcohol
2-methyl-1-butanol
2-methyl-N-butanol
soluble in :
 alcohol
 water, 29700 mg/L @ 25C
(odor and/or flavor) blends with :
2-acetyl-2-thiazoline
 allyl disulfide
 allyl nonanoate
 allyl thiopropionate
isoamyl acetoacetate
isoamyl laurate
isoamyl mercaptan
 amyl octanoate
isoamyl tiglate
2-amyl-5 or 6-keto-1,4-dioxane
 benzaldehyde dimethyl acetal
2,3-butane diol
1,3-butane dithiol
isobutyl acetoacetate
isobutyl alcohol
 butyl angelate
 butyl anthranilate
 butyl hexanoate
 butyl mercaptan
 butyl undecylenate
isobutyraldehyde propylene glycol acetal
 coffee difuran
 cyclopentyl mercaptan
 diallyl polysulfides
 diallyl tetrasulfide
 diallyl trisulfide
 dicyclohexyl disulfide
 diethyl 1-malate
 diethyl disulfide
 diethyl laevo-tartrate
 diethyl malate
 diethyl sebacate
 diethyl trisulfide
 dimethyl anthranilate
 dimethyl disulfide
 dimethyl sulfide
 dimethyl trisulfide
(Z+E)-2,5-dimethyl-3-tetrahydrofuran thiol
(Z+E)-2,5-dimethyl-3-thioacetoxytetrahydrofuran
 dipropyl disulfide
 dipropyl sulfide
 dipropyl trisulfide
1,4-dithiane
 ethyl 3-(furfuryl thio) propionate
 ethyl 3,5,5-trimethyl hexanoate
 ethyl aconitate
 ethyl chrysanthemate
 ethyl heptanoate
 ethyl methyl trisulfide
 ethyl nonanoate
 ethyl octanoate
 ethyl propyl disulfide
 ethyl propyl trisulfide
S-ethyl thioacetate
2-ethyl-4-butanol
 farnesyl acetone
 furfuryl methyl sulfide
 furfuryl thiopropionate
 geranyl acetoacetate
 heptanal
2-hexanol
(Z)-3-hexen-1-yl butyrate
 hexyl isobutyrate
 hexyl phenyl acetate
1-para-menthene-8-thiol
3-mercapto-2-methyl pentanal
3-mercapto-2-methyl pentanol
3-mercapto-2-pentanone
(R*,S*)-2-mercapto-3-butanol
 methyl 2-(methyl thio) butyrate
 methyl 2-methyl-3-furyl disulfide
 methyl 2-thiofuroate
 methyl 3-(methyl thio) propionate
 methyl 3-mercaptobutanoate
2-methyl 5-(methyl thio) furan
 methyl decanoate
 methyl hydrocinnamate
 methyl nonanoate
 methyl propyl disulfide
 methyl propyl trisulfide
2-(methyl thio) acetaldehyde
3-(methyl thio) hexanol
2-(methyl thio) methyl-2-butenal
3-(methyl thio) propanol
 methyl thiomethyl butyrate
bis(2-methyl-3-furyl) disulfide
 opoponax oil
 opoponax resinoid
2-pentanone
 phenethyl senecioate
 propenyl propyl disulfide
isopropyl disulfide
 propyl heptanoate
 propyl mercaptan
isopropyl mercaptan
 propyl thioacetate
 rose oil
 sorbyl butyrate
 sorbyl propionate
 terpinyl cinnamate
(odor and/or flavor) used in :
 tropical
natural occurrence in :
data pagechampaca concrete @ 0.01%
data pageeriocephalus punctulatus oil @ 0.50%



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