methyl beta-ionol
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IUPAC name :(E)-1-(2,6,6-trimethyl-1-cyclohexenyl)pent-1-en-3-ol
InChI :InChI=1/C14H24O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h8-9,12,15H,5-7,10H2,1-4H3/b9-8+
InChIKey :DZSNHSUUMHDJRJ-CMDGGOBGBV
SMILES :CCC(\C=C\C1=C(CCCC1(C)C)C)O
cas number :93840-90-5
(EINECS) number :298-957-4
molar refractivity :67.80 ± 0.3 cm3
parachor :540.2 ± 6.0 cm3
index of refraction :1.525 ± 0.02
surface tension :35.7 ± 3.0 dyne/cm
density :0.943 ± 0.06 g/cm3
polarizability :26.87 ± 0.5 10-24cm3
XlogP : 4.10
molecular weight : 208.3397600
formula :C14 H24 O
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified

organoleptics :
odor type :fruity
odor strength :medium
odor description :
at 100.00 %.  
berry

properties :
appearence :colorless clear liquid
assay : 50.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.91000 to 0.93000 @ 100.00 °C.
pounds per gallon - calc. : 7.572 to 7.739
refractive index :1.48500 to 1.50500 @ 20.00 °C.
boiling point : 72.00 °C. @ 2.00 mm Hg
boiling point : 298.00 to 299.00 °C. @ 760.00 mm Hg
flash point : 210.00  °F.  TCC  ( 98.89 °C. )
logP (o/w) : 4.86

safety :
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
 
recommendation for methyl beta-ionol usage levels up to :
  3.0000 % in the fragrance concentrate.

safety references :
EPI System :view
EPA Chem. Sub. Inventory : Yes
 
 
 
 (E)-1-(2,6,6-trimethyl-1-cyclohexenyl)pent-1-en-3-ol
(EINECS) number :298-957-4
chemidplus :093840905
EPA Substance Registry Services :93840-90-5

references :
 (E)-1-(2,6,6-trimethyl-1-cyclohexenyl)pent-1-en-3-ol
pubchem :752765

other :
synonyms :
beta-methyl ionol
1-(2,6,6-trimethyl-1-cyclohexen-1-yl) pent-1-en-3-ol
(E)-1-(2,6,6-trimethyl-1-cyclohexenyl)pent-1-en-3-ol

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) blends with :
 acetaldehyde methyl hexyl acetal
 acetoin butyrate
 acetyl methyl anthranilate
 allyl benzoate
 allyl tiglate
 ambrette seed absolute
delta6-isoambrettolide
isoamyl 2-methyl butyrate
para-anisyl propanal
 artemisyl ketone
 benzyl butyrate
3-benzyl-4-heptanone
 berry hexanoate
 berry pentadienoate
 bisabolene
 blackberry thiophenone
 bornyl valerate
 buchu mercaptan
 butyl anthranilate
isobutyl anthranilate
isobutyl butyrate
 butyl hexanoate
isobutyl isovalerate
 butyl valerate
isobutyl-3-(methyl thio) butyrate
 campholene acetate
alpha-campholenic alcohol
 conifer acetate
ortho-cresyl isobutyrate
 cyclohexyl ethyl acetate
beta-damascenone
alpha-damascone
 davana oil
 dihydro-alpha-ionone
isodihydrolavandulal
 ethyl 2-hydroxy-3-methyl valerate
 ethyl 2-methyl-2-pentenoate
 ethyl 3-oxohexanoate
2-ethyl butyric acid
 ethyl cinnamate
 ethyl levulinate
 ethyl maltol
 ethyl methyl-para-tolyl glycidate
 ethyl ortho-anisate
 ethyl valerate
 filbert hexenone
 fir balsam absolute
 fruity ketal
 furfuryl isovalerate
(E)-furfurylidene phenyl acetaldehyde
 geranyl butyrate
 geranyl isovalerate
 heliotropyl acetate
 heliotropyl acetone
 heliotropyl isobutyrate
 herbal undecanone
(Z)-3-hexen-1-yl 2-methyl butyrate
 hexyl isobutyrate
 hexyl isovalerate
 hexyl octanoate
 hyacinth ether
beta-ionone
beta-ionone epoxide
beta-ionyl acetate
 leather propionate
 maltyl isobutyrate
 maltyl propionate
 mango thiol
dextro,laevo-menthyl acetate
 methyl (E)-cinnamate
 methyl 2-methyl valerate
 methyl cinnamate
 methyl furfuryl disulfide
 methyl heptanoate
 methyl propionate
2-methyl-2-pentenoic acid
2-methyl-3-pentenoic acid
 nerolin fragarol
 neryl isobutyrate
(E)-5-nonen-2-one
3-nonen-2-one
(E)-2-octen-1-yl butyrate
3-octen-2-one
(E)-2-octen-4-ol
 octyl propionate
 orris root resinoid
 osmanthus absolute
 phenethyl butyrate
2-phenethyl isothiocyanate
 phenethyl pivalate
3-phenyl propyl isovalerate
 phenyl propyl valerate
 pine needle oil dwarf
isopropenyl acetate
 propyl acetate
 propyl formate
 propyl heptanoate
isopropyl hexanoate
 propyl isobutyrate
 prune glycidate
 raspberry ketone
 raspberry ketone acetate
 raspberry ketone methyl ether
 rose carboxylate
 strawberry furanone
 strawberry glycidate 1
 strawberry glycidate 2
 styralyl butyrate
 tetrahydroionyl acetate
 thiogeraniol
4-(para-tolyl)-2-butanone
 tropical trithiane
 valeraldehyde
 vanilla carboxylate

(odor and/or flavor) used in :
 berry
 blueberry
 butterscotch
 candy cotton candy
 caramel
 geranium
 jasmin
 raspberry
 rose
 strawberry

natural occurrence in :
not found in nature



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