octyl phenyl acetate
Suppliers  organoleptics  properties  safety  references    FEMA Index    Home Page
 
Right Click Jmol Molecule For More Options. (Safari 1.2 (v125) Compatible). Jmol is a free download found Here.
 
IUPAC name :octyl 2-phenylacetate
InChI :InChI=1/C16H24O2/c1-2-3-4-5-6-10-13-18-16(17)14-15-11-8-7-9-12-15/h7-9,11-12H,2-6,10,13-14H2,1H3
InChIKey :VGYPAVUJUMQTGE-UHFFFAOYAM
SMILES :CCCCCCCCOC(=O)CC1=CC=CC=C1
cas number :122-45-2
(EINECS) number :204-545-7
fema number :2812
coe number :230
jecfa number :1017
fl. number :09.703
molar refractivity :74.63 ± 0.3 cm3
parachor :626.8 ± 4.0 cm3
index of refraction :1.490 ± 0.02
surface tension :34.9 ± 3.0 dyne/cm
density :0.963 ± 0.06 g/cm3
polarizability :29.58 ± 0.5 10-24cm3
XlogP : 5.40
molecular weight : 248.3605600 (IUPAC)
formula :C16 H24 O2
NMR Predictor :Predict
 
 
export tariff code :2916.35.1500
fda reg :172.515
Suppliers :
Penta :octyl phenyl acetate
organoleptics :
odor type :earthy
odor strength :medium
odor description:
at 100.00 %.  		rooty orange basil bois de rose earthy honey
Luebke, William tgsc, (1986)
odor sample from :Nickstadt Moeller, Inc.
properties :
appearence :colorless clear viscous liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.95000 to 0.95600 @ 25.00 °C.
pounds per gallon - calc. : 7.905 to 7.955
refractive index :1.47900 to 1.48700 @ 20.00 °C.
boiling point : 315.00 to 318.00 °C. @ 760.00 mm Hg
flash point : 230.00  °F.  TCC  ( 110.00 °C. )
logP (o/w) : 5.69
safety :
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavor and fragrance agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :0.0037 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :0.006 (μg/capita/day)
Structure Class :I
 
recommendation for octyl phenyl acetate fragrance usage levels up to :
  1.0000 % in the fragrance concentrate.
recommendation for octyl phenyl acetate flavor usage levels up to :
  4.0000 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
 
 
 
 
octyl 2-phenylacetate
(EINECS) number :204-545-7
chemidplus :000122452
EPA Substance Registry Services :122-45-2
references :
 
octyl 2-phenylacetate
fl. number :09.703
jecfa number :1017
NIST Chemistry WebBook :3572321414
pubchem :197287
other :
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
 benzene acetic acid octyl ester
 octyl 2-phenylacetate
 octyl alpha-toluate
 octyl benzene acetate
 phenyl acetic acid octyl 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
 geranyl 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
 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
1-allyl-2,2,7,7-tetramethyl cycloheptanolFR
isoamyl phenyl acetateFL/FR
para-anisyl phenyl acetateFL/FR
 artemisyl ketoneFL/FR
 beeswax absoluteFL/FR
 bois de rose oilFL/FR
 bran absoluteFR
 buchu leaf oilFL/FR
 butyl phenyl acetateFL/FR
 cardamom absoluteFL/FR
 carnation absoluteFR
 cassis pentanoneFL/FR
 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
 elder flowers absoluteFR
 elecampane root absoluteFL
 elecampane root oilFL
2-ethyl fencholFL/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
 galbanum oilFL/FR
 geranyl anthranilateFR
 geranyl phenyl acetateFL/FR
 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
 melilot absoluteFR
 melilot oleoresinFL
 methyl (E)-2-hexenoateFL
 methyl butyl phenyl acetateFL/FR
 methyl hydrocinnamateFL/FR
 methyl phenyl acetateFL/FR
4-methyl-2,6-dimethoxyphenolFL/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
 orangeflower absoluteFL/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
 radish isothiocyanateFL
 rhodinyl phenyl acetateFL/FR
 rhubarb pyranFR
 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
 tropical thiazoleFL/FR
 tuberose absoluteFL/FR
 tuberose absolute concreteFL/FR
 valerian root oilFL/FR
 valerian root oil chinaFL/FR
 valerian root oil CO2 extract chinaFL/FR
 vetiver oilFL/FR
 vetiver resinoidFR
 vetiverolFL/FR
 vetiveryl acetateFL/FR
 vinyl sulfurolFL
 wallflower absoluteFR
 waxy acetateFR
2,6-xylenolFR
potential uses :
 earth humus
 floral
 herbal
natural occurrence in :    note
 not found in nature  

information only - not sold by The Good Scents Company.


Please share your Information / Comments.

Your email Address:


Top of Page          The Good Scents Company Home
Copyright © 1980-2010 The Good Scents Company Disclaimer Privacy Policy
Html Last modified 03/02/2010