beta-ionol
Notes :
Blends well with lavender and rose notes.
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :4-(2,6,6-trimethyl-1-cyclohexenyl)but-3-en-2-ol
InChI :InChI=1/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8,11,14H,5-6,9H2,1-4H3
InChIKey :CNOPDZWOYFOHGN-UHFFFAOYAU
SMILES :CC1=C(C(CCC1)(C)C)C=CC(C)O
(EINECS) number :244-735-7
cas number :22029-76-1
fema number :3625
jecfa number :392
fl. number :02.106
molar refractivity :63.16 ± 0.3 cm3
parachor :500.1 ± 6.0 cm3
index of refraction :1.530 ± 0.02
surface tension :35.8 ± 3.0 dyne/cm
density :0.950 ± 0.06 g/cm3
polarizability :25.04 ± 0.5 10-24cm3
xlogp : 3.80
molecular weight : 194.3131800
formula :C13 H22 O
 
 
IUPAC name :(E)-4-(2,6,6-trimethyl-1-cyclohexenyl)but-3-en-2-ol
InChI :InChI=1/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8,11,14H,5-6,9H2,1-4H3/b8-7+
InChIKey :CNOPDZWOYFOHGN-BQYQJAHWBG
SMILES :CC1=C(C(CCC1)(C)C)\C=C\C(C)O
cas number :22029-76-1
molar refractivity :63.16 ± 0.3 cm3
parachor :500.1 ± 6.0 cm3
index of refraction :1.530 ± 0.02
surface tension :35.8 ± 3.0 dyne/cm
density :0.950 ± 0.06 g/cm3
polarizability :25.04 ± 0.5 10-24cm3
xlogp : 3.80
molecular weight : 194.3131800
formula :C13 H22 O
 
 
fda reg :unspecified h. number :unspecified
organoleptics : 
odor type :floral
odor strength :medium
odor description :
at 100.00 %.  
sweet herbal floral balsam violet
taste description³ :at 20.00 ppm.  
Floral violet-like, fruity, woody, berry with powdery nuances
substantivity :152  Hour(s)
properties : 
appearence :colorless clear liquid
assay : 94.00 - 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :0.92300 - 0.93000 @ 25.00 °C.
pounds per gallon - calc. : 7.680 to 7.739
refractive index :1.49600 - 1.50200 @ 20.00 °C.
boiling point : 107.00 °C. @ 3.00 mm Hg
logp : 4.33
safety : 
Oral Toxicity(LD50) : Oral-Rat    5.00  gm/kg    
Dermal Toxicity(LD50) : Skin-Rabbit  >5.00  gm/kg    
  
flash point ( Deg. F. ) : 200.00  °F.  TCC  ( 93.33 °C. )
  
recommendation for beta-ionol usage levels up to :
  8.0000 % in the fragrance concentrate.
  
recommendation for beta-ionol usage levels up to :
  20.0000 ppm in the flavor.
  
safety links : 
(EINECS) number :244-735-7
rtecs :EM9630000 for 22029-76-1
chemidplus :22029-76-1
epa-srs :22029-76-1
  
chemidplus :022029761
epa-srs :22029-76-1
  
other : 
 
references : 
jecfa number :392
fl. number :02.106
pubchem :39348474
  
pubchem :204706
NIST Chemistry WebBook :1123603586
  
reference : Mosciano, Gerard P&F 19, No. 2, 55, (1994)³
synonyms :
2-hydroxy-beta-ionone
beta-ionol
4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-2-ol
4-2,6,6-trimethyl-1-cyclohexenyl-3-buten-2-ol
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) blends with :
 acetyl methyl anthranilate
 allyl tiglate
 ambrette seed absolute
delta6-isoambrettolide
3-benzyl-4-heptanone
 berry hexanoate
 blackberry thiophenone
 buchu mercaptan
 butyl hexanoate
alpha-damascone
 dimethyl alpha-ionone
 ethyl 2-hydroxy-3-methyl valerate
 ethyl 3-oxohexanoate
 ethyl cinnamate
 ethyl methyl-para-tolyl glycidate
 fir balsam absolute
 furfuryl isovalerate
 heliotropyl isobutyrate
(Z)-3-hexen-1-yl 2-methyl butyrate
beta-ionone
beta-ionone epoxide
beta-ionyl acetate
alpha-irone
 juniperberry oleoresin
 maltyl isobutyrate
 mango thiol
dextro,laevo-menthyl acetate
 methyl 2-methyl valerate
 methyl alpha-ionone
 methyl furfuryl disulfide
alpha-isomethyl ionone (90% min.)
 methyl ionyl acetate
2-methyl-2-pentenoic acid
 nerolin fragarol
3-nonen-2-one
(E)-2-octen-1-yl butyrate
(E)-2-octen-4-ol
 orris root concrete
 osmanthus absolute
 peru balsam
isopropenyl acetate
 propyl formate
 rose carboxylate
 styralyl butyrate
 tetrahydrofurfuryl propionate
 thiogeraniol
 vanilla carboxylate
 vetiveryl acetate
 violet dienyne
(odor and/or flavor) used in :
 balsam
 blueberry
 hay new mown hay foin coupe
 licorice
 pineapple
 raspberry
 strawberry
 tobacco tabac tabaco
 violet
 woody
natural occurrence in :
data pagechampaca absolute @ 0.30%
grape
raspberry



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