geranyl phenyl acetate
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Notes :
Sweet mellow fresh uplifter.
 
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IUPAC name :3,7-dimethylocta-2,6-dienyl 2-phenylacetate
InChI :InChI=1/C18H24O2/c1-15(2)8-7-9-16(3)12-13-20-18(19)14-17-10-5-4-6-11-17/h4-6,8,10-12H,7,9,13-14H2,1-3H3
InChIKey :UXAIJXIHZDZMSK-UHFFFAOYAK
SMILES :CC(=CCCC(=CCOC(=O)CC1=CC=CC=C1)C)C
cas number :71648-43-6
fema number :2516
molar refractivity :83.70 ± 0.3 cm3
parachor :673.2 ± 4.0 cm3
index of refraction :1.514 ± 0.02
surface tension :34.5 ± 3.0 dyne/cm
density :0.981 ± 0.06 g/cm3
polarizability :33.18 ± 0.5 10-24cm3
XlogP : 4.80
molecular weight : 272.3819600 (IUPAC)
formula :C18 H24 O2
BioActivity Analysis :429825
NMR Predictor :Predict
 
 
IUPAC name :[(2E)-3,7-dimethylocta-2,6-dienyl] 2-phenylacetate
InChI :InChI=1/C18H24O2/c1-15(2)8-7-9-16(3)12-13-20-18(19)14-17-10-5-4-6-11-17/h4-6,8,10-12H,7,9,13-14H2,1-3H3/b16-12+
InChIKey :UXAIJXIHZDZMSK-FOWTUZBSBT
SMILES :CC(=CCC/C(=C/COC(=O)CC1=CC=CC=C1)/C)C
cas number :102-22-7
(EINECS) number :203-014-7
beilstein number :5033401
fema number :2516
coe number :231
jecfa number :1020
fl. number :09.704
molar refractivity :83.70 ± 0.3 cm3
parachor :673.2 ± 4.0 cm3
index of refraction :1.514 ± 0.02
surface tension :34.5 ± 3.0 dyne/cm
density :0.981 ± 0.06 g/cm3
polarizability :33.18 ± 0.5 10-24cm3
XlogP : 4.80
molecular weight : 272.3819600 (IUPAC)
formula :C18 H24 O2
NMR Predictor :Predict
 
 
IUPAC name :[(2Z)-3,7-dimethylocta-2,6-dienyl] 2-phenylacetate
InChI :InChI=1/C18H24O2/c1-15(2)8-7-9-16(3)12-13-20-18(19)14-17-10-5-4-6-11-17/h4-6,8,10-12H,7,9,13-14H2,1-3H3/b16-12-
InChIKey :UXAIJXIHZDZMSK-VBKFSLOCBN
SMILES :CC(=CCC/C(=C\COC(=O)CC1=CC=CC=C1)/C)C
cas number :10522-32-4
(EINECS) number :234-069-5
molar refractivity :83.70 ± 0.3 cm3
parachor :673.2 ± 4.0 cm3
index of refraction :1.514 ± 0.02
surface tension :34.5 ± 3.0 dyne/cm
density :0.981 ± 0.06 g/cm3
polarizability :33.18 ± 0.5 10-24cm3
XlogP : 4.80
molecular weight : 272.3819600 (IUPAC)
formula :C18 H24 O2
NMR Predictor :Predict
 
 
export tariff code :2916.35.1500
fda reg :172.515
Suppliers :
Berje :Geranyl Phenyl Acetate
Givaudan :Geranyl phenylacetate
≥92%, NI, Kosher
Odor:  Fruity mild, aromatic honey notes
Inoue :GERANYL PHENYL ACETATE S
Penta :geranyl phenyl acetate
SAFC Global® :Geranyl phenylacetate
FCC, Kosher
Odor:  honey; rose
Vigon :Geranyl Phenyl Acetate
Odor:  Fruity mild, aromatic honey notes
organoleptics :
odor type :floral
odor strength :medium
odor description:
at 100.00 %.  		floral tropical honey rose fruity sweet balsam
Luebke, William tgsc, (1983)
odor sample from :Alpine Aromatics
odor description:
at 2.00 %.  		Floral, powdery, rosy, honey and dried fruit-like with balsamic undernotes
Mosciano, Gerard P&F 23, No. 3, 55, (1998)
taste description:
at 35.00 ppm.  		Floral, rosy, honey and green with fatty, fruity nuances
Mosciano, Gerard P&F 23, No. 3, 55, (1998)
substantivity :400  Hour(s)
properties :
appearence :yellowish clear liquid
assay : 97.00 to 100.00 %   
Food Chemicals Codex Listed :Yes
specific gravity :0.97100 to 0.97800 @ 25.00 °C.
pounds per gallon - calc. : 8.080 to 8.138
refractive index :1.50900 to 1.51200 @ 20.00 °C.
boiling point : 307.00 to 308.00 °C. @ 760.00 mm Hg
acid value : 1.00  max.  KOH/g
flash point :> 212.00  °F.  TCC  ( > 100.00 °C. )
logP (o/w) : 5.92
safety :
most important hazard(s) :None - None found.
  S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
Human experience : 4 % solution: no irritation or sensitization.
Oral Toxicity(LD50) : 
  Oral-Rat    >5000.00  mg/kg

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) :1.70 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :2.00 (μg/capita/day)
Structure Class :I
 
recommendation for geranyl phenyl acetate fragrance usage levels up to :
  5.0000 % in the fragrance concentrate.
recommendation for geranyl phenyl acetate flavor usage levels up to :
  35.0000 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
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :2
 
 
 
 
3,7-dimethylocta-2,6-dienyl 2-phenylacetate
chemidplus :71648-43-6
EPA Substance Registry Services :71648-43-6
dtp/nci :147477
 
 
 
[(2E)-3,7-dimethylocta-2,6-dienyl] 2-phenylacetate
(EINECS) number :203-014-7
RTECS :CY1595900 for cas# 102-22-7
chemidplus :000102227
EPA Substance Registry Services :102-22-7
 
 
 
[(2Z)-3,7-dimethylocta-2,6-dienyl] 2-phenylacetate
(EINECS) number :234-069-5
chemidplus :010522324
EPA Substance Registry Services :10522-32-4
references :
 
3,7-dimethylocta-2,6-dienyl 2-phenylacetate
pubchem :99608
 
[(2E)-3,7-dimethylocta-2,6-dienyl] 2-phenylacetate
fl. number :09.704
jecfa number :1020
NIST Chemistry WebBook :1813808957
pubchem :197221
 
[(2Z)-3,7-dimethylocta-2,6-dienyl] 2-phenylacetate
pubchem :659609
Cosmetics :
Cosmetic uses : perfuming agents
other :
CosIng :cosmetic data
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
(E)-benzene acetic acid 3,7-dimethyl-2,6-octadienyl ester
(E)-3,7-dimethyl-2,6-octadien-1-yl phenyl acetate
trans-3,7-dimethyl-2,6-octadien-1-yl phenyl acetate
3,7-dimethylocta-2,6-dienyl 2-phenylacetate
 geranyl alpha-toluate
(E)-geranyl phenyl acetate
(E)-neryl phenyl acetate
(E)-phenyl acetic acid 3,7-dimethyl-2,6-octadienyl ester
 phenyl acetic acid geranyl ester
Similar Products:    note
 allyl phenyl acetate
 amyl phenyl acetate
isoamyl phenyl acetate
para-anisyl phenyl acetate
 benzyl phenyl acetate
isobornyl phenyl acetate
 butyl phenyl acetate
isobutyl phenyl acetate
 cinnamyl phenyl acetate
 citronellyl phenyl acetate
meta-cresyl phenyl acetate
para-cresyl phenyl acetate
 cyclohexyl phenyl acetate
 dimethyl octanyl phenyl acetate
 ethyl phenyl acetate
 eugenyl phenyl acetate
isoeugenyl phenyl acetate
 furfuryl phenyl acetate
 guaiacyl phenyl acetate
 heptyl phenyl acetate
(E)-2-hexen-1-yl phenyl acetate
(Z)-3-hexen-1-yl phenyl acetate
 hexyl phenyl acetate
 linalyl phenyl acetate
 menthyl phenyl acetate
laevo-menthyl phenyl acetate
 methyl butyl phenyl acetate
 methyl phenyl acetate
 neryl phenyl acetate
 nonyl phenyl acetate
 octyl phenyl acetate
 phenethyl phenyl acetate
 phenyl propyl phenyl acetate
 propyl 4-tert-butyl phenyl acetate
 propyl phenyl acetate
isopropyl phenyl acetate
 rhodinyl phenyl acetate
 santalyl phenyl acetate
 tetrahydrofurfuryl phenyl acetate
soluble in :
 alcohol
insoluble in :
 water
potential blenders :    note
1-acetyl cyclohexyl acetateFL
 allyl phenoxyacetateFL/FR
 allyl phenyl acetateFL/FR
isoamyl phenyl acetateFL/FR
para-anisyl phenyl acetateFL/FR
 artemisyl ketoneFL/FR
 beeswax absoluteFL/FR
 bois de rose oilFL/FR
 bran absoluteFR
 butyl phenyl acetateFL/FR
 cardamom absoluteFL/FR
 carnation absoluteFR
 chamomile flower oil germanyFL/FR
 cistus cyclohexanoneFL/FR
 citronellyl isovalerateFL/FR
 citronellyl oxyacetaldehydeFL/FR
 citronellyl phenyl acetateFL/FR
 citronellyl valerateFL/FR
 cocoa butenalFL/FR
 cocoa pentenalFL/FR
 coranolFR
para-cresyl phenyl acetateFL/FR
 cubeb oilFL/FR
 cyclohexyl acetic acidFL
(E)-beta-damasconeFL/FR
(Z)-beta-damasconeFL/FR
beta-damasconeFL/FR
 decyl formateFR
 dihydrolinaloolFL/FR
 dimethyl octanyl acetateFL/FR
2,4-dimethyl-2-pentenoic acidFL
3,6-dimethyl-3-octanolFL/FR
 dodecanolFL/FR
 ethyl hydrocinnamateFL/FR
 ethyl linaloolFR
 ethyl linalyl acetalFR
 ethyl linalyl acetateFR
 ethyl linalyl etherFL/FR
 ethyl phenyl acetateFL/FR
 eugenyl phenyl acetateFL/FR
isoeugenyl phenyl acetateFL/FR
 fig leaf absoluteFL
 geranyl anthranilateFR
 guaiacyl phenyl acetateFL/FR
(E)-2-hexen-1-yl phenyl acetateFL/FR
(E)-3-hexenoic acidFL
 ho leaf oilFR
 ho wood oilFR
 hyacinth acetalFL/FR
 immortelle absoluteFL/FR
 kewda absolute 
 kewda oil 
 linaloolFL/FR
dextro-linaloolFL/FR
laevo-linaloolFL/FR
 linalool oxideFL/FR
 linalyl anthranilateFL/FR
 linalyl phenyl acetateFL/FR
 methyl (E)-2-hexenoateFL
 methyl butyl phenyl acetateFL/FR
 methyl hydrocinnamateFL/FR
 methyl phenyl acetateFL/FR
4-methyl-4-phenyl pentanoneFR
(Z,Z)-3,6-nonadien-1-olFL/FR
(Z)-6-nonen-1-olFL/FR
(Z)-3-octen-1-yl propionateFL/FR
 octyl isovalerateFL/FR
 octyl phenyl acetateFL/FR
 orangeflower absoluteFL/FR
 orris root resinoidFL/FR
 osmanthus absoluteFL/FR
 phenethyl acetateFL/FR
 phenethyl anthranilateFL/FR
 phenethyl benzoateFL/FR
 phenethyl furoateFL/FR
 phenethyl hexanoateFL/FR
 phenethyl phenyl acetateFL/FR
 phenethyl propionateFL/FR
 phenyl acetaldehydeFL/FR
 phenyl acetic acidFL/FR
 phenyl glycol diacetateFR
2-phenyl propyl alcoholFL/FR
3-phenyl propyl formateFL/FR
 phenyl pyruvic acidFL/FR
(E)-2-phenyl-1(2)-propene-1-yl acetateFR
isopropyl anthranilateFL/FR
 propyl phenyl acetateFL/FR
isopropyl phenyl acetateFL/FR
 rhodinyl phenyl acetateFL/FR
 rose absolute moroccoFL/FR
 rose carboxylateFR
 santalyl phenyl acetateFL/FR
 strawberry glycidate 1FL/FR
 strawberry glycidate 2FL/FR
 tetrahydrolinaloolFL/FR
1,2,3,4-tetrahydroquinolineFR
 tuberose absoluteFL/FR
 tuberose absolute concreteFL/FR
 wallflower absoluteFR
 waxy acetateFR
potential uses :
 apple
 fig
 floral
 geranium
 grape white grape
 honey miel
 modifier
 peach
 rose
 ylang ylang cananga
natural occurrence in :    note
 not found in nature  

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