(E)-geranyl acetone
Notes :
Blends well with fruity notes.
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :(5E)-6,10-dimethylundeca-5,9-dien-2-one
InChI :InChI=1/C13H22O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h7,9H,5-6,8,10H2,1-4H3/b12-9+
InChIKey :HNZUNIKWNYHEJJ-FMIVXFBMBN
SMILES :CC(=CCC/C(=C/CCC(=O)C)/C)C
(EINECS) number :223-269-8
cas number :3796-70-1
fema number :3542
coe number :11088
jecfa number :1122
fl. number :07.123
molar refractivity :62.10 ± 0.3 cm3
parachor :521.2 ± 4.0 cm3
index of refraction :1.459 ± 0.02
surface tension :27.7 ± 3.0 dyne/cm
density :0.855 ± 0.06 g/cm3
polarizability :24.62 ± 0.5 10-24cm3
xlogp : 3.60
molecular weight : 194.3131800
formula :C13 H22 O
BioActivity Analysis :476573
 
 
fda reg :172.515 h. number :unspecified
organoleptics : 
odor type :floral
odor strength :medium
odor description :
at 100.00 %.  
fresh green fruity waxy rose woody magnolia
taste description³ :at 12.00 ppm.  
Floral, fruity, fatty, green, pear, apple and banana with tropical nuances
substantivity :192  Hour(s)
properties : 
appearence :colorless to pale yellow clear liquid
assay : 97.00 - 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :0.86200 - 0.87000 @ 25.00 °C.
pounds per gallon - calc. : 7.173 to 7.239
refractive index :1.46200 - 1.47000 @ 20.00 °C.
boiling point : 92.00 - 93.00 °C. @ 2.50 mm Hg
boiling point : 250.00 °C. @ 760.00 mm Hg
logp : 4.13
safety : 
most important hazard(s) : Xi - Irritant
  
Oral Toxicity(LD50) : Oral-Rat    >5.00  gm/kg    
Dermal Toxicity(LD50) : Skin-Rabbit  >5.00  gm/kg    
Maximised Survey-derived Daily Intakes (MSDI) :41.00 (μg/capita/day)
  
flash point ( Deg. F. ) : 230.00  °F.  TCC  ( 110.00 °C. )
  
recommendation for (E)-geranyl acetone usage levels up to :
  10.0000 % in the fragrance concentrate.
  
recommendation for (E)-geranyl acetone usage levels up to :
  12.0000 ppm in the flavor.
  
safety links : 
(EINECS) number :223-269-8
rtecs :RG5920000 for 3796-70-1
chemidplus :003796701
epa-srs :3796-70-1
dtp/nci :406679
  
other : 
 
references : 
pubchem :162538
NIST Chemistry WebBook :4107054982
  
reference : Mosciano, Gerard P&F 23, No. 1, 33, (1998)³
synonyms :
(E)-6,10-dimethyl undeca-5,9-dien-2-one
(E)-2,6-dimethyl-2,6-undecadien-10-one
trans-2,6-dimethyl-2,6-undecadien-2-one
(E)-6,10-dimethyl-5,9-undecadien-2-one
trans-6,10-dimethyl-5,9-undecadien-2-one
(E)-geranyl acetone
trans-geranyl acetone
soluble in :
 alcohol
 water, very slightly
insoluble in :
 water
(odor and/or flavor) blends with :
isoamyl benzoate
alpha-amyl cinnamaldehyde
para-anisyl acetate
para-anisyl alcohol
 benzyl isobutyrate
 bergamot oil
 bois de rose oil
 caraway seed oil
 chamomile oil
 citral
 citronellyl acetate
 citrus carbaldehyde
 coriander seed oil
 cyclohexyl ethyl alcohol
 decanol
 decyl acetate
 dimethyl benzyl carbinol
 dodecanal dimethyl acetal
 floral pyranol
 gardenia oxide
(E)-geranyl acetone
 geranyl butyrate
 grapefruit oil
 grapefruit pentanol
 green acetate
(Z)-3-hexen-1-yl acetate
(Z)-3-hexen-1-yl benzoate
(Z)-3-hexen-1-yl formate
(Z)-3-hexen-1-yl salicylate
(Z)-3-hexen-1-yl tiglate
 hexyl 2-methyl butyrate
alpha-hexyl cinnamaldehyde
 hexyl tiglate
2,4-ivy carbaldehyde
 jasmin absolute
 lavender absolute
 leaf acetal
 linalool
laevo-linalool
 linalool oxide
 linalyl acetate
 melon nonenoate
 methyl dihydrojasmonate
 mimosa absolute
 muguet carboxaldehyde
 musk indanone
 nerolidol
 neryl acetate
 nonanal
 ocean propanal
 orange oil
 orangeflower absolute
 peony alcohol
 petitgrain oil
 phenethyl acetate
 rose absolute
 rose butanoate
 styralyl acetate
alpha-terpineol
 tetrahydrolinalool
(odor and/or flavor) used in :
 apple
 apple blossom
 apple green apple
 apricot
 banana
 bergamot
 berry
 butterscotch
 cassie acacia farnesiana
 cherry
 citrus
 coriander
 currant black currant
 elder blossom
 fig
 floral
 fruit
 gardenia
 geranium
 gooseberry
 grape
 grapefruit
 grass green grass
 green
 herbal
 honey miel
 jasmin
 lavender
 leather
 lemon
 lemongrass
 lime
 magnolia
 mandarin
 mango
 melon watermelon muskmelon cantaloupe
 muguet lily of the valley
 neroli
 nutmeg
 orange blossom fleur d'oranger
 oriental
 passion fruit
 peach
 pear
 petitgrain
 petitgrain lemon petitgrain
 pina colada
 pineapple
 plum
 raspberry
 rose
 rose moss rose
 rose red rose
 rose tea rose
 rum
 sassafras
 spice
 starfruit
 tangerine
 tea
 tomato
 tropical
 tuberose tubereuse
 wallflower giroflee
 woody
 ylang ylang cananga
natural occurrence in :
anise
data pagechampaca concrete @ 0.04%
fox red fox urine during mating season
grapefruit oil
hyssop
mint
data pagenepeta betonicifolia c.a. meyer oil turkey @ 0.20%
passion fruit
sage red sage
tea green tea
tomato 3223 ppm



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