(E)-geranyl acetone
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Notes :
Blends well with fruity notes.
 
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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
cas number :3796-70-1
(EINECS) number :223-269-8
beilstein number :1722277
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 (IUPAC)
formula :C13 H22 O
BioActivity Analysis :476573
pherobase floral:view
NMR Predictor :Predict
 
 
export tariff code :2914.19.0000
fda reg :172.515

Suppliers :
Advanced Biotech :geranyl acetone
97% min. (mixed isomers) natural
Bedoukian Research :GERANYL ACETONE
≥96.5% (sum of isomers), Kosher
Odor:  fresh, rose, magnolia-type
Adds a nice tropical fruit note with pear, rose, woody undertones.
Flavor:  green fruity
Used in cherry, stone fruits, pear, apple, peach, raspberry, coconut and tomato flavors.
Hofmen :Geranyl acetone
95%
Moellhausen :geranyl acetone
97% min. nature identical kosher
Odor:  fruity-floral, rosy, green magnolia
Penta :cis-geranyl acetone
SAFC Global® :6,10-Dimethyl-5,9-undecadien-2-one
≥97%, FG, Kosher
Odor:  apple; rose; woody; green; vegetable

organoleptics :
odor type :floral
odor strength :medium
odor description:
at 100.00 %.  
fresh green fruity waxy rose woody magnolia tropical
Luebke, William tgsc, (2007)
odor sample from :Penta International Corporation
odor description:
Green, fruity, waxy, woody, pear, rosy and guava with tropical nuances
Mosciano, Gerard P&F 23, No. 1, 33, (1998)
taste description:
at 12.00 ppm.  
Floral, fruity, fatty, green, pear, apple and banana with tropical nuances
Mosciano, Gerard P&F 23, No. 1, 33, (1998)
substantivity :192  Hour(s)

properties :
appearence :colorless to pale yellow clear liquid
assay : 97.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :0.86200 to 0.87000 @ 25.00 °C.
pounds per gallon - calc. : 7.173 to 7.239
refractive index :1.46200 to 1.47000 @ 20.00 °C.
boiling point : 92.00 to 93.00 °C. @ 2.50 mm Hg
boiling point : 247.00 to 250.00 °C. @ 760.00 mm Hg
acid value : 1.00  max.  KOH/g
vapor pressure :0.00600 mm/Hg @ 20.00 °C.
vapor density :>1 ( Air = 1 )
flash point : 230.00  °F.  TCC  ( 110.00 °C. )
logP (o/w) : 4.13
shelf life : 12.00 month(s) or longer if stored properly.
storage :store in cool, dry place in tightly sealed containers, protected from heat and light.

safety :
most important hazard(s) :Xi N - Irritant, Dangerous for the environment.
  R 38 - Irritating to skin.
R 51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
S 61 - Avoid release to the environment. Refer to special instructions/safety data sheet.
Oral Toxicity(LD50) : 
  Oral-Rat    >5.00  gm/kg

Dermal Toxicity(LD50) : 
  Skin-Rabbit  >5.00  gm/kg

Inhalation Toxicity(LC50) : 
  Not determined
 

safety in use :
Category :flavor and fragrance agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :41.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :2.00 (μg/capita/day)
 
recommendation for (E)-geranyl acetone fragrance usage levels up to :
  10.0000 % in the fragrance concentrate.
recommendation for (E)-geranyl acetone flavor usage levels up to :
  12.0000 ppm in the flavor.

safety references :
European Food Safety Athority(efsa) :Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
msds :msds
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :2
 
 
 
 
(5E)-6,10-dimethylundeca-5,9-dien-2-one
(EINECS) number :223-269-8
RTECS :RG5920000 for cas# 3796-70-1
chemidplus :003796701
EPA Substance Registry Services :3796-70-1
dtp/nci :406679

references :
 
(5E)-6,10-dimethylundeca-5,9-dien-2-one
fl. number :07.123
jecfa number :1122
NIST Chemistry WebBook :4107054982
pubchem :162538
Flavornet :3796-70-1

Cosmetics :
Cosmetic uses : perfuming agents

other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
 C of A
RIFM :listed
FMA :listed
FDA Everything Added to Food in the United States (EAFUS)View
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
(5E)-6,10-dimethylundeca-5,9-dien-2-one
trans-geranyl acetone

soluble in :
 alcohol
 water, 50 mg/L @ 25C

insoluble in :
 water

potential blenders :    note
 acetal 318FR
6-acetoxydihydrotheaspiraneFL/FR
isoamyl 3-(2-furan) propionateFL/FR
 amyl benzoateFL/FR
isoamyl benzoateFL/FR
alpha-amyl cinnamaldehydeFL/FR
 amyl cyclopentanone propanoneFR
para-anisyl acetateFL/FR
para-anisyl alcoholFL/FR
 anisyl propanal / methyl anthranilate schiff's baseFR
 arnica flower oilFL/FR
 basil oleoresin sweetFL/FR
 benzyl isobutyrateFL/FR
 benzyl methyl etherFL/FR
 bergamot oilFL/FR
 bois de rose oilFL/FR
isobutyl benzyl carbinolFL/FR
alpha-butyl cinnamaldehydeFL/FR
 caraway seed oilFL/FR
 chamomile oilFL/FR
 champaca absoluteFR
 champaca flower oilFR
 chrysanthemum oxideFL/FR
 cinnamyl formateFL/FR
 citralFL/FR
 citral dimethyl acetalFL/FR
(R)-(+)-beta-citronellolFL/FR
 citronellyl acetateFL/FR
 citronellyl propionateFL/FR
 citrus carbaldehydeFR
 clary sage absoluteFL/FR
 clary sage oilFL/FR
 coriander leaf oilFL/FR
 coriander seed oilFL/FR
(-)-cubenol 
 cumin carbinolFR
 cuminyl acetaldehydeFL/FR
isocyclocitralFL/FR
 cyclohexyl ethyl alcoholFL/FR
 cyperus root oilFR
 decanal propylene glycol acetalFL/FR
 decanolFL/FR
3-decanoneFL/FR
(E)-4-decen-1-alFL/FR
2-decen-1-alFL/FR
 decyl acetateFL/FR
 dimethyl benzyl carbinolFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
 dimethyl benzyl carbinyl propionateFR
 dimethyl succinateFL/FR
2,4-dimethyl thiazoleFL
6,8-dimethyl-2-nonanolFR
 dodecanal dimethyl acetalFL/FR
 earthy acetalFL/FR
 ethyl 2-benzyl butyrateFL/FR
 ethyl methyl-para-tolyl glycidateFL/FR
2-ethyl octine carbonateFL
 farnesyl acetateFL/FR
 floral butanalFR
 floral pyranolFR
 gardenia absoluteFR
 gardenia concreteFR
 gardenia oxideFR
 genet absoluteFL/FR
 geranium oilFL/FR
 geranyl butyrateFL/FR
 geranyl formateFL/FR
 geranyl isobutyrateFL/FR
 grapefruit oilFL/FR
 grapefruit pentanolFR
 green acetateFR
 green carbaldehydeFR
 guaiacyl phenyl acetateFL/FR
(-)-guaiolFR
 guaiyl acetateFL/FR
 heptyl butyrateFL/FR
 hexanalFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl benzoateFL/FR
(Z)-3-hexen-1-yl formateFL/FR
(Z)-3-hexen-1-yl salicylateFL/FR
(Z)-3-hexen-1-yl tiglateFL/FR
 hexyl 2-methyl butyrateFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 hexyl tiglateFL/FR
 hyacinth absoluteFL/FR
 hyacinth acetalFL/FR
 hydroxycitronellal diethyl acetalFL/FR
2,4-ivy carbaldehydeFL/FR
 ivy carbaldehyde / methyl anthranilate schiff's baseFR
 ivy dioxolaneFR
 jasmin absoluteFL/FR
 jasmin cyclopentanolFR
 jonquil absoluteFR
 lavender absoluteFL/FR
 leaf acetalFL/FR
 linaloolFL/FR
laevo-linaloolFL/FR
 linalool oxideFL/FR
 linalyl acetateFL/FR
 magnolia cyclohexanolFR
 magnolia decadienalFR
 magnolia indeneFR
 magnolia notes 
 marine hexaneFR
 melon nonenoateFL/FR
 methyl 2-undecynoateFL
 methyl cyclocitroneFR
 methyl dihydrojasmonateFL/FR
para-methyl hydratropaldehydeFL/FR
alpha-isomethyl ionone (90% min.)FL/FR
 methyl octine carbonateFL/FR
4-methyl-4-phenyl pentanoneFR
 mimosa absoluteFL/FR
 muguet carboxaldehydeFR
 muguet shiseolFL/FR
 muguet undecadienalFR
 musk indanoneFR
 nerolFL/FR
 neroli oilFL/FR
 nerolidolFL/FR
(E)-nerolidolFL/FR
 neryl acetateFL/FR
 nonanalFL/FR
 ocean propanalFL/FR
 ocean propanal / methyl anthranilate schiff's baseFR
 octanal dimethyl acetalFL/FR
 octyl oxyacetaldehydeFR
 orange leaf absoluteFL/FR
 orange oilFL/FR
 orangeflower absoluteFL/FR
 papaya isobutyrateFL/FR
 peach pivalateFR
 peony alcoholFR
 petitgrain oilFL/FR
 phenethyl acetateFL/FR
 phenethyl isobutyrateFL/FR
 phenethyl valerateFL/FR
 phenyl acetaldehydeFL/FR
 phenyl acetaldehyde diisobutyl acetalFL/FR
2-phenyl propionaldehyde ethylene glycol acetalFR
ketoisophoroneFL/FR
 rose absoluteFL/FR
 rose butanoateFL/FR
 rose petal acetateFL/FR
 styralyl acetateFL/FR
 styralyl formateFL/FR
 sweet pea absoluteFR
 tea acetateFR
alpha-terpineolFL/FR
 terpinyl isobutyrateFL/FR
 tetrahydrocitralFL/FR
 tetrahydrolinaloolFL/FR
 tricyclodecenyl acetateFR
isovaleraldehyde propylene glycol acetalFL/FR
 verbena absolute franceFL

potential uses :
 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 :    note
 anise S
data pagechampaca concrete @ 0.04% S
 fox red fox urine during mating season  
 grapefruit oil S
 hyssop S
 mint  
data pagenepeta betonicifolia c.a. meyer oil turkey @ 0.20% S
 passion fruit S
 sage red sage  
 tea green tea  
 tomato 3223 ppm  



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