octyl propionate
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IUPAC name :octyl propanoate
InChI :InChI=1/C11H22O2/c1-3-5-6-7-8-9-10-13-11(12)4-2/h3-10H2,1-2H3
InChIKey :CEQGYPPMTKWBIU-UHFFFAOYAZ
SMILES :CCCCCCCCOC(=O)CC
cas number :142-60-9
(EINECS) number :205-548-6
fema number :2813
coe number :407
jecfa number :145
fl. number :09.126
molar refractivity :54.78 ± 0.3 cm3
parachor :494.5 ± 4.0 cm3
index of refraction :1.426 ± 0.02
surface tension :28.7 ± 3.0 dyne/cm
density :0.872 ± 0.06 g/cm3
polarizability :21.71 ± 0.5 10-24cm3
XlogP : 4.10
molecular weight : 186.2911800 (IUPAC)
formula :C11 H22 O2
BioActivity Analysis :448702
NMR Predictor :Predict
 
 
export tariff code :2915.50.3000
fda reg :172.515
Suppliers :
Advanced Biotech :octyl propionate
98% min. natural
Odor:  Myrtle Berries
Cargill :n-OCTYL PROPIONATE
natural, Kosher
Odor:  Waxy, Myrtle Berries, Pineapple
Fleurchem :1-octyl propionate
natural
Grau Aromatics :OCTYL-PROPIONATE
NI, Kosher
Inoue :OCTYL PROPIONATE
Penta :octyl propionate
SAFC Global® :Octyl propionate
≥99%, Kosher
Odor:  waxy
Vigon :Octyl Propionate
organoleptics :
odor type :fruity
odor strength :medium
odor description:
at 100.00 %.  		sweet fruity mushroom floral raspberry jammy green
odor description:
Sweet, fruity, woody and floral with a jammy and green nuance
Mosciano, Gerard P&F 21, No. 5, 49, (1996)
taste description:
at 10.00 ppm.  		Sweet, estry, fruity and berry with a tropical, jammy nuance
Mosciano, Gerard P&F 21, No. 5, 49, (1996)
properties :
appearence :colorless clear liquid
assay : 99.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.86600 @ 25.00 °C.
boiling point : 228.00 °C. @ 760.00 mm Hg
flash point : 210.00  °F.  TCC  ( 98.89 °C. )
logP (o/w) : 4.30
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.
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) :0.00 (μg/capita/day)
 
recommendation for octyl propionate fragrance usage levels up to :
  5.0000 % in the fragrance concentrate.
recommendation for octyl propionate flavor usage levels up to :
  10.0000 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 :3
 
 
 
 
octyl propanoate
(EINECS) number :205-548-6
chemidplus :000142609
EPA Substance Registry Services :142-60-9
dtp/nci :190978
references :
 
octyl propanoate
fl. number :09.126
jecfa number :145
NIST Chemistry WebBook :4286716192
pubchem :197336
other :
VCF-Online: VCF Volatile Compounds in Food
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
 octyl propanoate
N-octyl propanoate
N-octyl propionate
 propanoic acid octyl ester
 propionic acid octyl ester
Similar Products:    note
 allyl propionate
 allyl thiopropionate
 amyl propionate
isoamyl propionate
para-anisyl propionate
 benzyl propionate
 bornyl propionate
isobornyl propionate
 butyl propionate
isobutyl propionate
tert-butyl propionate
 carvyl propionate
 cinnamyl propionate
 citronellyl propionate
para-cresyl propionate
 cyclohexyl propionate
 cyclotene propionate
 decyl propionate
 dewy propionate
 dicyclopentadiene propionate
 dimethyl benzyl carbinyl propionate
 dodecyl propionate
 ethyl propionate
 eugenyl propionate
 furfuryl propionate
 furfuryl thiopropionate
 geranyl propionate
 guaiacyl propionate
 heptyl propionate
(E)-2-hexen-1-yl propionate
(Z)-3-hexen-1-yl propionate
 hexyl propionate
 linalyl propionate
 maltyl propionate
 menthyl propionate
laevo-menthyl propionate
2-methyl butyl propionate
 methyl propionate
 nerolidyl propionate
 neryl propionate
 nonisyl propionate
 nonyl propionate
(Z)-3-octen-1-yl propionate
(Z)-5-octen-1-yl propionate
 phenethyl propionate
 phenoxyethyl propionate
3-phenyl propyl propionate
 propyl propionate
isopropyl propionate
 rhodinyl propionate
 sorbyl propionate
 styralyl propionate
 sulfuryl propionate
 terpinyl propionate
 tetrahydrofurfuryl propionate
 tricyclodecenyl propionate
soluble in :
 alcohol
insoluble in :
 water
potential blenders :    note
 acetyl butyrylFL/FR
1-acetyl cyclohexyl acetateFL
 allyl 2-furoateFL
 allyl amyl glycolateFR
 allyl butyrateFL/FR
isoamyl benzoateFL/FR
isoamyl butyrateFL/FR
isoamyl formateFL/FR
isoamyl isovalerateFL/FR
isoamyl octanoateFL/FR
 anise indeneFR
para-anisyl formateFL/FR
 benzaldehyde / methyl anthranilate schiff's baseFR
 berry hexanoateFR
 boronia absoluteFL/FR
 buchu mercaptanFL/FR
isobutyl anthranilateFL/FR
isobutyl furyl propionateFL/FR
 butyl isobutyrateFL/FR
isobutyl propionateFL/FR
2-butyl thiopheneFL
 cassis pentanoneFL/FR
 chamomile isobutyrateFR
 chamomile propionateFR
 cherry pentenoateFL/FR
 cinnamyl formateFL/FR
 citronellyl butyrateFL/FR
 citronellyl hexanoateFL/FR
 citronellyl isobutyrateFL/FR
 citronellyl propionateFL/FR
(E)-citronellyl tiglateFL/FR
 clove bud oilFL/FR
 coriander oleoresinFL
beta-cyclocitralFL/FR
2-cyclopentyl cyclopentanoneFL/FR
(E)-beta-damasconeFL/FR
(Z)-beta-damasconeFL/FR
beta-damasconeFL/FR
alpha-decalactoneFR
2-decalinyl acetateFR
 diethyl malonateFL/FR
N,N-diethyl octanamideFR
 dihydroactinidolideFL
 dihydrojasmoneFL/FR
 dimethyl succinateFL/FR
6,8-dimethyl-2-nonanolFR
S-(2,5-dimethyl-3-furyl) ethane thioateFL
(E,E)-2,4-dodecadien-1-olFR
 ethyl (E,Z)-2,4-decadienoateFL/FR
 ethyl (E)-2-octenoateFL
 ethyl 2-cyclohexyl propionateFR
 ethyl 2-furoateFL
 ethyl 2-octenoateFL/FR
 ethyl 3-acetoxyhexanoateFL/FR
 ethyl 3,5,5-trimethyl hexanoateFR
 ethyl acetoacetateFL/FR
 ethyl levulinateFL/FR
4-ethyl octanoic acidFL/FR
 ethyl ortho-anisateFL/FR
 fir carboxylateFR
 furfuryl propionateFL
 fusel oilFL
 geranyl methyl tiglate 
 green acetateFR
 heptanal cyclic ethylene acetalFR
 heptanal dimethyl acetalFL/FR
2-heptanolFL/FR
 heptyl isobutyrateFL/FR
 herbal undecanoneFR
2-hexen-1-alFL
(E)-2-hexen-1-al diethyl acetalFL
2-hexen-1-al diethyl acetalFL
2-hexen-1-olFL/FR
(E)-3-hexen-1-yl acetateFL/FR
(E)-2-hexen-1-yl formateFL/FR
(E)-2-hexen-1-yl hexanoateFL/FR
(Z)-3-hexen-1-yl hexanoateFL/FR
(Z)-3-hexen-1-yl isobutyrateFL/FR
(Z)-3-hexen-1-yl isovalerateFL/FR
 hexyl (E)-2-hexenoateFL
 hexyl 2-butenoateFL/FR
 hexyl acetateFL/FR
 hexyl octanoateFL/FR
 hexyl pivalateFR
 hyacinth etherFR
beta-iononeFL/FR
 linalool oxide acetatesFL/FR
 maltyl isobutyrateFL/FR
 melon acetalFL/FR
 melon valerateFL/FR
 methyl (E)-2-hexenoateFL
 methyl (E)-3-nonenoateFL/FR
 methyl (E)-3-nonenoateFL
 methyl (Z)-3-hexenoateFL/FR
 methyl 2-(methyl thio) butyrateFL
 methyl 2-furoateFL/FR
 methyl 2-undecynoateFL
 methyl 4-phenyl butyrateFL
 methyl alpha-iononeFL/FR
2-methyl butyl 2-methyl butyrateFL/FR
 methyl cyclogeranateFR
 methyl decanoateFL/FR
 methyl heptanoateFL/FR
N-methyl iononeFL/FR
alpha-isomethyl ionone (90% min.)FL/FR
 methyl ionyl acetateFL/FR
 methyl isobutyrateFL/FR
 methyl R-3-acetoxyhexanoate 
 methyl thiomethyl butyrateFL
2-methyl valeraldehydeFL
(E)-2-methyl-2-octen-1-alFL
2-methyl-2-octen-1-alFL
2-methyl-2-pentenoic acidFL/FR
(E)-7-methyl-3-octen-2-oneFL
3-methyl-3-pentanolFL
 myrtenyl isobutyrate 
 nerolidyl isobutyrateFR
 neryl propionateFL/FR
3-nonanon-1-yl acetateFL/FR
 nonisyl acetateFR
(E,E)-3,5-octadien-2-oneFL
 octen-1-yl cyclopentanoneFL/FR
2-octen-4-oneFL/FR
 octyl 2-methyl butyrateFL/FR
 orris root concreteFL/FR
 passiflora acetateFL/FR
 patchouli absoluteFR
2-pentyl furanFL/FR
 petitgrain lemon oilFL/FR
beta-sesquiphellandrene 
 phenethyl acetateFL/FR
 phenoxyethyl isobutyrateFL/FR
1-phenyl propyl butyrateFL/FR
2-phenyl propyl isobutyrateFL/FR
4-phenyl-3-buten-2-olFL/FR
2-phenyl-4-pentenalFL
 pineapple pentenoateFL/FR
 prenolFL/FR
 prenyl ethyl etherFL/FR
 prenyl hexanoateFL/FR
isopropyl 2-methyl butyrateFL/FR
isopropyl benzoateFL/FR
 propyl isobutyrateFL/FR
 propylene acetalFL/FR
 prune glycidateFR
 raspberry ketone methyl etherFL/FR
 rhubarb undecaneFR
 rose undeceneFR
 terpinyl valerateFL/FR
 tetrahydrofurfuryl butyrateFL/FR
 tetrahydroionyl acetateFR
 timber dioxolaneFR
4-(para-tolyl)-2-butanoneFL/FR
 tropical indeneFR
 tropical iononeFL/FR
 tropical thiazoleFL/FR
 violet dienyneFR
 viridiflorolFL/FR
potential uses :
 carnation dianthus oeillet
 jonquil narcissus jonquilla
 mango
 mushroom
 myrtle
 peach
 raspberry
 reseda mignonette
 strawberry
natural occurrence in :    note
data pageheracleum paphlagonicum czeczott fruit oil turkey @ 0.20% S

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