heptyl phenyl acetate
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Notes :
Blends well with woody notes.
 
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IUPAC name :heptyl 2-phenylacetate
InChI :InChI=1/C15H22O2/c1-2-3-4-5-9-12-17-15(16)13-14-10-7-6-8-11-14/h6-8,10-11H,2-5,9,12-13H2,1H3
InChIKey :MFCMCQJYPOAXCB-UHFFFAOYAE
SMILES :CCCCCCCOC(=O)CC1=CC=CC=C1
cas number :39736-25-9
(EINECS) number :254-609-3
molar refractivity :70.00 ± 0.3 cm3
parachor :587.0 ± 4.0 cm3
index of refraction :1.492 ± 0.02
surface tension :35.0 ± 3.0 dyne/cm
density :0.971 ± 0.06 g/cm3
polarizability :27.75 ± 0.5 10-24cm3
XlogP : 4.80
molecular weight : 234.3339800 (IUPAC)
formula :C15 H22 O2
BioActivity Analysis :476332
NMR Predictor :Predict
 
 
export tariff code :2916.35.1500
fda reg :unspecified

Suppliers :
Penta :heptyl phenyl acetate

organoleptics :
odor type :citrus
odor strength :medium
odor description:
at 100.00 %.  
strong lemongrass sweet verbena foliage
substantivity :348  Hour(s)

properties :
appearence :colorless to pale yellow clear liquid
assay : 96.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.01500 @ 25.00 °C.
boiling point : 265.00 °C. @ 760.00 mm Hg
flash point : 229.00  °F.  TCC  ( 109.44 °C. )
logP (o/w) : 5.15

safety :
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 

safety in use :
Category :information only not used for fragrances or flavors
 
recommendation for heptyl phenyl acetate fragrance usage levels up to :
  4.0000 % in the fragrance concentrate.

safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
 
 
 
heptyl 2-phenylacetate
(EINECS) number :254-609-3
chemidplus :039736259
EPA Substance Registry Services :39736-25-9
dtp/nci :406420

references :
 
heptyl 2-phenylacetate
NIST Chemistry WebBook :39736259
pubchem :678732

other :
synonyms :
 benzene acetic acid heptyl ester
 heptyl 2-phenyl acetate
 heptyl 2-phenylacetate

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
(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
 allyl nonanoateFL/FR
 anisyl propanal / methyl anthranilate schiff's baseFR
2-isobutyl thiazoleFL/FR
 citronellyl benzoateFL/FR
 cumin acetaldehydeFL/FR
homocuminic aldehydeFR
 dimethyl benzyl carbinolFL/FR
2,4-dimethyl cyclohexyl methyl acetateFR
 galbanum resinoidFR
 guaiacwood oilFL/FR
3-hexen-1-alFL/FR
(Z)-3-hexen-1-olFL/FR
alpha-hexyl cinnamaldehyde dimethyl acetal 
 hexyl heptanoateFL/FR
 hexyl phenyl acetateFL/FR
 hyacinth absoluteFL/FR
 hyacinth butanalFR
 ivy carbaldehydeFL/FR
2,4-ivy carbaldehydeFL/FR
3,5-ivy carbaldehydeFL/FR
3,6-ivy carbaldehydeFL/FR
 ivy dioxolaneFR
 ivy leaf absoluteFR
 leafy oximeFR
 lemongrass oil guatemalaFL/FR
 methyl heptenoneFL/FR
5-methyl-5-hexen-2-oneFL/FR
 mistletoe absolute 
 narcissus absoluteFR
 nonanalFL/FR
2-nonyn-1-al dimethyl acetalFR
 ocean propanal / methyl anthranilate schiff's baseFR
 orangeflower absoluteFL/FR
 phenethyl acetalFR
 phenethyl cinnamateFL/FR
 phenethyl isopropyl etherFR
 phenoxyacetaldehyde 50% in benzyl alcoholFR
 phenyl acetaldehyde diisobutyl acetalFL/FR
 phenyl acetaldehyde dimethyl acetalFL/FR
 phenyl amyl alcoholFL/FR
3-phenyl propionaldehydeFL/FR
(R)-2-phenyl propyl alcoholFL/FR
4-phenyl-2-butanolFL/FR
 propyl cinnamateFL/FR
isopropyl phenyl acetateFL/FR
isopropyl quinolineFR
 rhodinyl propionateFL/FR
 rose absoluteFL/FR
laevo-rose oxideFL/FR
 sandalwood oilFL/FR
 tetrahydrofurfuryl cinnamateFL/FR
 verbena oilFL

potential uses :
 cortex
 foliage
 guaiacwood
 lemon
 lemongrass
 verbena verveine
 woody

natural occurrence in :    note
 not found in nature  

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