heptyl heptanoate
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IUPAC name :heptyl heptanoate
InChI :InChI=1/C14H28O2/c1-3-5-7-9-11-13-16-14(15)12-10-8-6-4-2/h3-13H2,1-2H3
InChIKey :QOIIBPAJVWFEPE-UHFFFAOYAN
SMILES :CCCCCCCOC(=O)CCCCCC
cas number :624-09-9
(EINECS) number :210-828-6
fema number :4341
jecfa number :1875
molar refractivity :68.68 ± 0.3 cm3
parachor :613.8 ± 4.0 cm3
index of refraction :1.435 ± 0.02
surface tension :29.6 ± 3.0 dyne/cm
density :0.867 ± 0.06 g/cm3
polarizability :27.22 ± 0.5 10-24cm3
XlogP : 5.80
molecular weight : 228.3709200 (IUPAC)
formula :C14 H28 O2
NMR Predictor :Predict
 
 
export tariff code :2915.90.0000
fda reg :unspecified

Suppliers :
Nanjing :Heptyl heptanoate
orders in chinese.

organoleptics :
odor type :green
odor strength :medium
odor description:
at 100.00 %.  
grassy green

properties :
appearence :colorless clear oily liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.85900 to 0.86500 @ 20.00 °C.
pounds per gallon - calc. : 7.156 to 7.206
refractive index :1.42800 to 1.43200 @ 20.00 °C.
boiling point : 276.00 to 277.00 °C. @ 760.00 mm Hg
flash point : 248.00  °F.  TCC  ( 120.00 °C. )
logP (o/w) : 5.78

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

safety in use :
Category :flavor and fragrance agents
 
recommendation for heptyl heptanoate fragrance usage levels up to :
  8.0000 % in the fragrance concentrate.
 
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA on the "LIBRARY" link.
publication number : 23
 average usual ppmaverage maximum ppm
baked goods : --
beverages(nonalcoholic) : 3.0000015.00000
beverages(alcoholic) : --
breakfast cereal : --
cheese : --
chewing gum : 25.00000100.00000
condiments / relishes : --
confectionery froastings : --
egg products : --
fats / oils : --
fish products : --
frozen dairy : --
fruit ices : --
gelatins / puddings : 10.0000020.00000
granulated sugar : --
gravies : --
hard candy : 5.0000025.00000
imitation dairy : --
instant coffee / tea : --
jams / jellies : --
meat products : --
milk products : --
nut products : --
other grains : --
poultry : --
processed fruits : --
processed vegetables : --
reconstituted vegetables : --
seasonings / flavors : --
snack foods : --
soft candy : 5.0000020.00000
soups : --
sugar substitutes : --
sweet sauces : --

safety references :
EPI System :view
 
 
 
 
heptyl heptanoate
(EINECS) number :210-828-6
chemidplus :000624099
EPA Substance Registry Services :624-09-9

references :
 
heptyl heptanoate
jecfa number :1875
NIST Chemistry WebBook :3644550119
pubchem :211521

other :
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
 heptanoic acid heptyl ester
 heptyl capronate
 heptyl heptoate

Similar Products:    note
 allyl heptanoate
 amyl heptanoate
isoamyl heptanoate
 benzyl heptanoate
 butyl heptanoate
isobutyl heptanoate
 decyl heptanoate
 ethyl 2-acetyl heptanoate
 ethyl heptanoate
 eugenyl heptanoate
 furfuryl heptanoate
 geranyl heptanoate
(Z)-3-hexen-1-yl heptanoate
 hexyl heptanoate
 methyl heptanoate
 nonyl heptanoate
 octyl heptanoate
 phenethyl heptanoate
 prenyl heptanoate
 propyl heptanoate

soluble in :
 alcohol

insoluble in :
 water

potential blenders :    note
2-acetyl-2-thiazolineFL
isoamyl heptanoateFL/FR
 ascorbic acidFL
 bark carbaldehydeFR
 butyl heptanoateFL/FR
sec-butyl-3-methyl but-2-ene thioateFL
 cedarwood oil lebanonFR
 champaca flower oilFR
 citronella oilFL/FR
 citronellal / methyl anthranilate schiff's baseFR
 coumarinFR
alpha-decalactoneFR
 dibutyl sulfideFL/FR
3,7-dimethyl-6-octenoic acidFL
2-ethyl pyridineFL
3-(2-furyl) acroleinFL
 grass notes 
 green hexanalFL/FR
 heptanalFL/FR
2-heptanolFL/FR
(Z)-3-hepten-1-olFL/FR
3-hepten-2-oneFL/FR
2-heptenoic acidFL
 hexanal dihexyl acetalFL
(Z)-3-hexen-1-alFL/FR
(Z)-3-hexen-1-yl formateFL/FR
(Z)-3-hexenoic acidFL
 lemongrass oilFL/FR
 lilac acetaldehydeFL/FR
 litsea cubeba oilFL/FR
3-(methyl thio) hexanalFL
2-methyl-2-penten-1-alFL/FR
 mimosa absoluteFL/FR
 muguet shiseolFL/FR
 oakmoss resinFR
(E,E)-3,5-octadien-2-oneFL
 palmarosa oilFL/FR
 perillaldehydeFL/FR
laevo-perillaldehydeFL/FR
 prenyl ethyl etherFL/FR
 propylene acetalFL/FR
3,5,5-trimethyl hexanolFL/FR

potential uses :
 almond
 grass green grass
 mallow

natural occurrence in :    note
 not found in nature  

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