1-phenyl-2-pentanol
 
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IUPAC name :1-phenylpentan-2-ol
InChI :InChI=1/C11H16O/c1-2-6-11(12)9-10-7-4-3-5-8-10/h3-5,7-8,11-12H,2,6,9H2,1H3
InChIKey :FCURFTSXOIATDW-UHFFFAOYAG
SMILES :CCCC(CC1=CC=CC=C1)O
(EINECS) number :211-887-0
cas number :705-73-7
fema number :2953
coe number :83
jecfa number :825
fl. number :02.034
molar refractivity :51.19 ± 0.3 cm3
parachor :417.3 ± 4.0 cm3
index of refraction :1.515 ± 0.02
surface tension :36.6 ± 3.0 dyne/cm
density :0.968 ± 0.06 g/cm3
polarizability :20.29 ± 0.5 10-24cm3
xlogp : 2.80
molecular weight : 164.2441400
formula :C11 H16 O
 
 
export tariff code :unspecified
fda reg :unspecified
 

Suppliers :
Sigma-Aldrich-SAFC :1-Phenyl-2-pentanol
 
 

organoleptics :
odor type :green
odor strength :medium
odor description :
at 100.00 %.  
mild green sweet earthy

properties :
appearence :colorless clear oily liquid
assay : 98.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.95700 - 0.96400 @ 25.00 °C.
pounds per gallon - calc. : 7.963 to 8.021
refractive index :1.50800 - 1.51300 @ 20.00 °C.
boiling point : 247.00 °C. @ 760.00 mm Hg
boiling point : 75.00 °C. @ 0.50 mm Hg
logp : 2.77

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
Maximised Survey-derived Daily Intakes (MSDI-EU) :0.12 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :1.00 (μg/capita/day)
  
flash point ( Deg. F. ) : 221.00  °F.  TCC  ( 105.00 °C. )
  
recommendation for 1-phenyl-2-pentanol usage levels up to :
  8.0000 % in the fragrance concentrate.
  
recommendation for 1-phenyl-2-pentanol usage levels up to :
  5.0000 ppm in the flavor.
  

safety links :
(EINECS) number :211-887-0
chemidplus :000705737
epa-srs :705-73-7
  

other :
 

references :
jecfa number :825
fl. number :02.034
pubchem :197463
NIST Chemistry WebBook :2948272435
  
synonyms :
 benzyl butyl alcohol
 benzyl propyl carbinol
2-hydroxy-1-phenyl pentane
dextro,laevo-1-phenyl pentan-2-ol
1-phenyl-2-pentanol
alpha-propyl benzene ethanol
N-propyl benzyl carbinol
alpha-propyl phenethyl alcohol
para-propyl phenethyl alcohol
soluble in :
 alcohol
 water, very slightly
insoluble in :
 water
(odor and/or flavor) blends with :
 amyl formate
 benzyl disulfide
 bornyl formate
 fern absolute
 geranium absolute
delta-heptalactone
(Z)-3-hexen-1-yl tiglate
6-hydroxydihydrotheaspirane (mixture of isomers)
 linalool oxide
1-nonen-3-ol
1-octen-3-ol
 octyl acetate
 octyl isobutyrate
2-pentyl furan
2-phenyl propyl acetate
 propylene glycol acetone ketal
 tropical trithiane
(odor and/or flavor) used in :
 earth humus
 green
 orchid
 orris iris
 osmanthus
natural occurrence in :
not found in nature



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