geranyl acetone
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Notes :
Blends well with fruity notes.
 
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IUPAC name :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
InChIKey :HNZUNIKWNYHEJJ-UHFFFAOYAX
SMILES :CC(=CCCC(=CCCC(=O)C)C)C
cas number :689-67-8
(EINECS) number :211-711-2
fema number :3542
fl. number :07.216
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
NMR Predictor :Predict
 
 
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
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 :48414778
pherobase floral:view
NMR Predictor :Predict
 
 
IUPAC name :(5Z)-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-XFXZXTDPBA
SMILES :CC(=CCC/C(=C\CCC(=O)C)/C)C
cas number :3879-26-3
beilstein number :1722276
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
NMR Predictor :Predict
 
 
export tariff code :2914.19.0000
fda reg :unspecified
Suppliers :
Apple :Geranyl Acetone
BASF :Geranyl acetone
≥ 95% (CGC)
Odor:  Floral, rose, sweet, green
Vigon :Geranyl Acetone
Odor:  GREEN, ROSY, FLORAL
organoleptics :
odor type :floral
odor strength :medium
odor description:
at 100.00 %.  		fresh rose leaf floral green magnolia aldehydic fruity
Luebke, William tgsc, (1985)
odor sample from :Givaudan Corporation
taste description:
floral rose fresh soapy
properties :
appearence :colorless to pale yellow clear liquid
assay : 95.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :0.86500 to 0.87000 @ 25.00 °C.
pounds per gallon - calc. : 7.198 to 7.239
refractive index :1.46500 to 1.46800 @ 0.00 °C.
boiling point : 247.00 °C. @ 760.00 mm Hg
boiling point : 105.00 °C. @ 3.75 mm Hg
vapor pressure :0.01500 mm/Hg @ 25.00 °C.
flash point :> 212.00  °F.  TCC  ( > 100.00 °C. )
logP (o/w) : 4.13
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-Mouse   [sex: M,F]  8650.00  mg/kg
(Moreno, 1976b)

Oral-Rat   [sex: M,F]  >6800.00  mg/kg
(Hoffman, 1978)

Dermal Toxicity(LD50) : 
  Skin-Rabbit  >5000.00  mg/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 geranyl acetone fragrance usage levels up to :
  5.0000 % in the fragrance concentrate.
recommendation for geranyl acetone flavor usage levels up to :
  20.0000 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...
EPI System :view
Cancer Citations :Search
Toxicology Citations :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :2
 
 
 
 
6,10-dimethylundeca-5,9-dien-2-one
(EINECS) number :211-711-2
chemidplus :000689678
EPA Substance Registry Services :689-67-8
 
 
 
(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
 
 
 
(5Z)-6,10-dimethylundeca-5,9-dien-2-one
chemidplus :3879-26-3
EPA Substance Registry Services :3879-26-3
references :
 
6,10-dimethylundeca-5,9-dien-2-one
fl. number :07.216
pubchem :669753
 
(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
 
(5Z)-6,10-dimethylundeca-5,9-dien-2-one
NIST Chemistry WebBook :1637765976
pubchem :10521272
Cosmetics :
Cosmetic uses : perfuming agents
other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
RIFM :listed
FMA :listed
synonyms :
6,10-dimethyl undeca-5,9-dien-2-one
6,10-dimethyl-5,9-undecadien-2-one
6,10-dimethylundeca-5,9-dien-2-one
soluble in :
 alcohol
 water, very slightly
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 :
 banana
 floral
 green
 jasmin
 magnolia
 mint
 passion fruit
 pear
 plum
 rose
 tea
 tomato
 tropical
natural occurrence in :    note
data pageambrette seed oil @ 0.30% S
 anise S
data pageboronia absolute @ trace% S
data pagecascarilla bark oil @ 2.18% S
data pagecedrela wood oil @ 0.05% S
data pagecerastium candidissimum corr. oil greece @ 13.50% S
data pagecistus oil @ 0.1% S
data pagedialium guineense wild.fruit oil france @ 0.50% S
data pagefleabane oil @ trace% S
 fox red fox urine during mating season  
 grapefruit oil S
data pageherniaria incana lam. oil greece @ 1.50% S
 hyssop S
data pagejasmin absolute china @ 0.36% S
data pagelaurel leaf oil turkey @ trace% S
 mint  
 passion fruit S
data pagepteronia oil @ 0.30% S
 sage red sage  
 tea green tea  
data pagewitch hazel leaf oil @ 0.07% S

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