muguet butanol
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IUPAC name :3-methyl-4-phenylbutan-2-ol
InChI :InChI=1/C11H16O/c1-9(10(2)12)8-11-6-4-3-5-7-11/h3-7,9-10,12H,8H2,1-2H3
InChIKey :VSIXJPFQJMODCS-UHFFFAOYAS
SMILES :CC(CC1=CC=CC=C1)C(C)O
cas number :56836-93-2
(EINECS) number :260-398-9
molar refractivity :51.15 ± 0.3 cm3
parachor :414.7 ± 4.0 cm3
index of refraction :1.513 ± 0.02
surface tension :35.3 ± 3.0 dyne/cm
density :0.965 ± 0.06 g/cm3
polarizability :20.27 ± 0.5 10-24cm3
XlogP : 2.50
molecular weight : 164.2441400 (IUPAC)
formula :C11 H16 O
NMR Predictor :Predict
 
 
export tariff code :29062920000
fda reg :unspecified
Suppliers :
IFF :Muguesia
≥88% (sum peaks 1 + 2)
Odor:  Floral, Muguet, Rose
Floral muguet comes into its own where aldehydic muguet ingredients are not stable.
organoleptics :
odor type :floral
odor strength :medium
odor description:
at 100.00 %.  		floral muguet green rose mentholic
Luebke, William tgsc, (2009)
odor sample from :International Flavors & Fragrances Inc.
substantivity :137 hour(s) at 10.00 % in dipropylene glycol
properties :
appearence :colorless to pale yellow clear liquid
assay : 88.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.96900 to 0.97700 @ 25.00 °C.
pounds per gallon - calc. : 8.063 to 8.130
refractive index :1.51300 to 1.51900 @ 20.00 °C.
boiling point : 256.00 to 257.00 °C. @ 760.00 mm Hg
flash point :> 212.00  °F.  TCC  ( > 100.00 °C. )
logP (o/w) : 2.57
safety :
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :fragrance agents
 
recommendation for muguet butanol fragrance usage levels up to :
  15.0000 % in the fragrance concentrate.
recommendation for muguet butanol flavor usage levels up to :
 not for flavor use.
safety references :
EPI System :view
EPA Chem. Sub. Inventory : Yes
 
 
 
 
3-methyl-4-phenylbutan-2-ol
(EINECS) number :260-398-9
chemidplus :056836932
EPA Substance Registry Services :56836-93-2
references :
Leffingwell :chirality
 
3-methyl-4-phenylbutan-2-ol
pubchem :669435
other :
synonyms :
alpha,beta-dimethyl benzene propanol
3-methyl-4-phenyl 2-butanol
3-methyl-4-phenyl butan-2-ol
3-methyl-4-phenylbutan-2-ol
 muguesia
soluble in :
 alcohol
insoluble in :
 water
stability :
 acid cleaner
 alcoholic lotion
 antiperspirant
 deo stick
 detergent
 fabric softener
 hard surface cleaner
 shampoo
 soap
potential blenders :    note
isoamyl undecylenateFL/FR
 benzyl alcoholFL/FR
 butyl benzyl etherFL/FR
 citronellalFL/FR
 citronellyl ethoxalateFR
 citronellyl oxyacetaldehydeFL/FR
 citronellyl propionateFL/FR
 citrus carbaldehydeFR
 cumin carbinolFR
 cyclamen homoaldehydeFR
 cyclohexyl propanolFR
(E)-alpha-damasconeFL/FR
(Z)-alpha-damasconeFL/FR
gamma-damasconeFR
2-decalinolFR
isodecanalFL/FR
(Z)-4-decen-1-alFL/FR
2-decen-1-alFL/FR
(Z)-4-decen-1-yl acetateFL/FR
 dihydrocarvyl acetateFL/FR
 ethyl linalyl acetalFR
(E,E)-farnesolFL/FR
 farnesyl acetateFL/FR
 floral butanalFR
 floral pyranFR
 floral pyranolFR
 flower hexeneFR
 geranium rose-scented oil (pelargonium spp.) cubaFR
 geranyl acetateFL/FR
(E)-geranyl linaloolFL/FR
 globulol 
 hawthorn ethanolFR
 jasimiaFR
 leerallFR
 lilyallFR
 lilyall / methyl anthranilate schiff's baseFR
 magnolia cyclohexanolFR
 magnolia decadienalFR
 methoxycitronellalFR
2-methyl octanalFL/FR
 muguet butanalFR
 muguet butanolFR
 muguet carboxaldehydeFR
 muguet ethanolFR
 muguet nitrileFR
 muguet propanolFR
 muguet shiseolFL/FR
 muguet undecadienalFR
 musk acetateFR
 myrmac aldehydeFR
 neryl acetateFL/FR
 neryl isovalerateFL/FR
 nonanal diethyl acetalFL/FR
 nonanolFL/FR
 orange peel oil bitter terpenelessFL/FR
 phenethyl acetateFL/FR
 phenethyl anthranilateFL/FR
 phenethyl phenyl acetateFL/FR
 phenethyl salicylateFL/FR
 phenyl acetaldehydeFL/FR
 phenyl acetaldehyde digeranyl acetalFR
 phenyl acetic acidFL/FR
 phenyl glycol diacetateFR
laevo-rose oxideFL/FR
 strawberry glycidate 2FL/FR
 styralyl propionateFL/FR
2,5,9-trimethyl-4,9-decadien-1-alFR
 undecanalFL/FR
(E)-2-undecen-1-olFL/FR
2-undecen-1-olFL/FR
 waxy aldehydeFR
potential uses :
 aldehydic
 floral
 muguet lily of the valley
 rose
natural occurrence in :    note
 not found in nature  

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Html Last modified 02/21/2010