4-phenyl-3-buten-2-ol
 
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IUPAC name :4-phenylbut-3-en-2-ol
InChI :InChI=1/C10H12O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-9,11H,1H3
InChIKey :ZIJWGEHOVHJHKB-UHFFFAOYAH
SMILES :CC(C=CC1=CC=CC=C1)O
(EINECS) number :241-501-6
cas number :17488-65-2
fema number :2880
coe number :2032
jecfa number :819
fl. number :02.066
molar refractivity :48.26 ± 0.3 cm3
parachor :364.1 ± 4.0 cm3
index of refraction :1.581 ± 0.02
surface tension :39.9 ± 3.0 dyne/cm
density :1.023 ± 0.06 g/cm3
polarizability :19.13 ± 0.5 10-24cm3
xlogp : 2.30
molecular weight : 148.2016800
formula :C10 H12 O
 
 
IUPAC name :(E)-4-phenylbut-3-en-2-ol
InChI :InChI=1/C10H12O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-9,11H,1H3/b8-7+
InChIKey :ZIJWGEHOVHJHKB-BQYQJAHWBT
SMILES :CC(\C=C\C1=CC=CC=C1)O
cas number :17488-65-2
molar refractivity :48.26 ± 0.3 cm3
parachor :364.1 ± 4.0 cm3
index of refraction :1.581 ± 0.02
surface tension :39.9 ± 3.0 dyne/cm
density :1.023 ± 0.06 g/cm3
polarizability :19.13 ± 0.5 10-24cm3
xlogp : 2.30
molecular weight : 148.2016800
formula :C10 H12 O
 
 
IUPAC name :(Z)-4-phenylbut-3-en-2-ol
InChI :InChI=1/C10H12O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-9,11H,1H3/b8-7-
InChIKey :ZIJWGEHOVHJHKB-FPLPWBNLBZ
SMILES :CC(\C=C/C1=CC=CC=C1)O
cas number :17488-65-2
molar refractivity :48.26 ± 0.3 cm3
parachor :364.1 ± 4.0 cm3
index of refraction :1.581 ± 0.02
surface tension :39.9 ± 3.0 dyne/cm
density :1.023 ± 0.06 g/cm3
polarizability :19.13 ± 0.5 10-24cm3
xlogp : 2.30
molecular weight : 148.2016800
formula :C10 H12 O
 
 
export tariff code :unspecified
fda reg :unspecified
 
 

organoleptics :
odor type :floral
odor strength :medium
odor description :
at 100.00 %.  
sweet fruity floral balsam

properties :
appearence :colorless clear oily liquid
assay : 97.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.00600 - 1.01200 @ 25.00 °C.
pounds per gallon - calc. : 8.371 to 8.421
refractive index :1.55800 - 1.56700 @ 20.00 °C.
boiling point : 140.00 °C. @ 12.00 mm Hg
logp : 2.04

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 252.00  °F.  TCC  ( 122.22 °C. )
  
recommendation for 4-phenyl-3-buten-2-ol usage levels up to :
  0.2000 % in the fragrance concentrate.
  
recommendation for 4-phenyl-3-buten-2-ol usage levels up to :
  20.0000 ppm in the flavor.
  

safety links :
(EINECS) number :241-501-6
chemidplus :001504558
epa-srs :17488-65-2
  
chemidplus :017488652
epa-srs :17488-65-2
  
chemidplus :17488-65-2
epa-srs :17488-65-2
  

other :
 

references :
jecfa number :819
fl. number :02.066
pubchem :158493
NIST Chemistry WebBook :2194945182
  
pubchem :204610
NIST Chemistry WebBook :3895967288
  
pubchem :42548086
  
synonyms :
homocinnamyl alcohol
 methyl styryl carbinol
4-phenyl but-3-en-2-ol
(E)-4-phenyl qbut-3-en-2-ol
4-phenyl-3-buten-2-ol
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) blends with :
 acetal 318
1-acetyl cyclohexyl acetate
isoamyl 3-(2-furan) propionate
 amyl angelate
isoamyl angelate
alpha-amyl cinnamaldehyde
alpha-amyl cinnamyl acetate
para-anisyl formate
 benzaldehyde / methyl anthranilate schiff's base
 benzyl acetate
 benzyl acetoacetate
 benzyl acetone
 benzyl cinnamate
 benzyl formate
 berry hexanoate
isobutyl anthranilate
isobutyl furyl propionate
2-butyl thiophene
 butyl undecylenate
 chamomile isobutyrate
 chamomile propionate
 chamomile valerate
 cinnamyl butyrate
(E)-cinnamyl butyrate
 cinnamyl formate
 cinnamyl propionate
 citronellyl acetone
 citronellyl butyrate
 citronellyl hexanoate
 citronellyl isobutyrate
 citronellyl propionate
(E)-citronellyl tiglate
 clary propyl acetate
 cyclohexyl crotonate
 cyclohexyl salicylate
(E)-beta-damascone
(Z)-beta-damascone
beta-damascone
2-decalinyl acetate
2,4-difurfuryl furan
 dihydrogeranyl linalool
 dihydrojasmone
 dimethyl benzyl carbinyl acetate
S-(2,5-dimethyl-3-furyl) ethane thioate
(E+Z)-4,8-dimethyl-3,7-nonadien-2-one
 eriocephalus punctulatus oil
 ethyl 2-furoate
 ethyl levulinate
4-ethyl octanoic acid
 floral undecenone
 geraniol
2-heptanol
 heptyl isobutyrate
(Z)-3-hexen-1-yl benzoate
(Z)-3-hexen-1-yl isovalerate
 hexoxyacetaldehyde dimethyl acetal
 hexyl cinnamate
2-hexyl-4-acetoxytetrahydrofuran
beta-ionol
 menthadienyl formate
3-mercaptohexyl acetate
 methoxymelonal
 methyl (Z)-3-hexenoate
 methyl 4-phenyl butyrate
 methyl alpha-ionone
 methyl benzyl acetate (mixed ortho-,meta-,para-)
 methyl cyclogeranate
 methyl decanoate
alpha-isomethyl ionone (90% min.)
 methyl ionyl acetate
 methyl isobutyrate
(E)-7-methyl-3-octen-2-one
3-nonanon-1-yl acetate
 octyl benzoate
 orris root concrete
 petitgrain lemon oil
 phenethyl isobutyrate
 phenethyl isovalerate
1-phenyl propyl butyrate
2-phenyl propyl isobutyrate
3-phenyl propyl isobutyrate
3-phenyl propyl propionate
 phenyl salicylate
1-phenyl-1-propanol
2-phenyl-4-pentenal
(Z,E)-phytol
 propyl 2-furan acrylate
isopropyl benzoate
 rhubarb pyran
 rose undecene
 terpinyl butyrate
 terpinyl valerate
 tetrahydroionyl acetate
4-(para-tolyl)-2-butanone
 tropical ionone
(odor and/or flavor) used in :
 amber
 balsam
 floral
 hawthorn
natural occurrence in :
not found in nature



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