octyl propionate
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
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
(EINECS) number :205-548-6
cas number :142-60-9
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
formula :C11 H22 O2
BioActivity Analysis :448702
 
 
export tariff code :2915.50.3000
fda reg :unspecified
 

Suppliers :
Cargill - Alfrebro :n-OCTYL PROPIONATE
 natural, Kosher
 
Fleurchem :1-octyl propionate
 natural
 
Sigma-Aldrich-SAFC :Octyl propionate
 ≥99%, Kosher
 
 

organoleptics :
odor type :fruity
odor strength :medium
odor description :
at 100.00 %.  
sweet fruity mushroom floral raspberry jammy green

properties :
appearence :colorless clear liquid
assay : 99.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.86600 @ 25.00 °C.
boiling point : 228.00 °C. @ 760.00 mm Hg
logp : 4.30

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
Maximised Survey-derived Daily Intakes (MSDI-EU) :0.00 (μg/capita/day)
  
flash point ( Deg. F. ) : 210.00  °F.  TCC  ( 98.89 °C. )
  
recommendation for octyl propionate usage levels up to :
  5.0000 % in the fragrance concentrate.
  
recommendation for octyl propionate usage levels up to :
  10.0000 ppm in the flavor.
  

safety links :
(EINECS) number :205-548-6
chemidplus :000142609
epa-srs :142-60-9
dtp/nci :190978
  

other :
 

references :
jecfa number :145
fl. number :09.126
pubchem :197336
NIST Chemistry WebBook :4286716192
  
synonyms :
 octyl propanoate
N-octyl propanoate
 octyl propionate
N-octyl propionate
 propanoic acid octyl ester
 propionic acid octyl ester
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) blends with :
 acetyl butyryl
1-acetyl cyclohexyl acetate
 allyl 2-furoate
 allyl amyl glycolate
 allyl butyrate
isoamyl benzoate
isoamyl butyrate
isoamyl formate
isoamyl isovalerate
isoamyl octanoate
 anise indene
para-anisyl formate
 benzaldehyde / methyl anthranilate schiff's base
 berry hexanoate
 boronia absolute
 buchu mercaptan
isobutyl anthranilate
isobutyl furyl propionate
 butyl isobutyrate
isobutyl propionate
2-butyl thiophene
 cassis pentanone
 chamomile isobutyrate
 chamomile propionate
 cherry pentenoate
 cinnamyl formate
 citronellyl butyrate
 citronellyl hexanoate
 citronellyl isobutyrate
 citronellyl propionate
(E)-citronellyl tiglate
 clove bud oil
 coriander oleoresin
beta-cyclocitral
2-cyclopentyl cyclopentanone
(E)-beta-damascone
(Z)-beta-damascone
beta-damascone
alpha-decalactone
2-decalinyl acetate
 diethyl malonate
N,N-diethyl octanamide
 dihydroactinidolide
 dihydrojasmone
 dimethyl succinate
6,8-dimethyl-2-nonanol
S-(2,5-dimethyl-3-furyl) ethane thioate
(E,E)-2,4-dodecadien-1-ol
 ethyl (E,Z)-2,4-decadienoate
 ethyl (E)-2-octenoate
 ethyl 2-cyclohexyl propionate
 ethyl 2-furoate
 ethyl 2-octenoate
 ethyl 3-acetoxyhexanoate
 ethyl 3,5,5-trimethyl hexanoate
 ethyl acetoacetate
 ethyl levulinate
4-ethyl octanoic acid
 ethyl ortho-anisate
 fir carboxylate
 furfuryl propionate
 fusel oil
 geranyl methyl tiglate
 green acetate
 heptanal cyclic ethylene acetal
 heptanal dimethyl acetal
2-heptanol
 heptyl isobutyrate
 herbal undecanone
2-hexen-1-al
(E)-2-hexen-1-al diethyl acetal
2-hexen-1-al diethyl acetal
2-hexen-1-ol
(E)-3-hexen-1-yl acetate
(E)-2-hexen-1-yl formate
(E)-2-hexen-1-yl hexanoate
(Z)-3-hexen-1-yl hexanoate
(Z)-3-hexen-1-yl isobutyrate
(Z)-3-hexen-1-yl isovalerate
 hexyl (E)-2-hexenoate
 hexyl 2-butenoate
 hexyl acetate
 hexyl octanoate
 hexyl pivalate
 hyacinth ether
beta-ionone
 linalool oxide acetates
 maltyl isobutyrate
 melon acetal
 melon valerate
 methyl (E)-2-hexenoate
 methyl (E)-3-nonenoate
 methyl (E)-3-nonenoate
 methyl (Z)-3-hexenoate
 methyl 2-(methyl thio) butyrate
 methyl 2-furoate
 methyl 2-undecynoate
 methyl 4-phenyl butyrate
 methyl alpha-ionone
2-methyl butyl 2-methyl butyrate
 methyl cyclogeranate
 methyl decanoate
 methyl heptanoate
N-methyl ionone
alpha-isomethyl ionone (90% min.)
 methyl ionyl acetate
 methyl isobutyrate
 methyl R-3-acetoxyhexanoate
 methyl thiomethyl butyrate
2-methyl valeraldehyde
(E)-2-methyl-2-octen-1-al
2-methyl-2-octen-1-al
2-methyl-2-pentenoic acid
(E)-7-methyl-3-octen-2-one
3-methyl-3-pentanol
 myrtenyl isobutyrate
 nerolidyl isobutyrate
 neryl propionate
3-nonanon-1-yl acetate
 nonisyl acetate
(E,E)-3,5-octadien-2-one
 octen-1-yl cyclopentanone
2-octen-4-one
 octyl 2-methyl butyrate
 orris root concrete
 passiflora acetate
 patchouli absolute
2-pentyl furan
 petitgrain lemon oil
beta-sesquiphellandrene
 phenethyl acetate
 phenoxyethyl isobutyrate
1-phenyl propyl butyrate
2-phenyl propyl isobutyrate
4-phenyl-3-buten-2-ol
2-phenyl-4-pentenal
 pineapple pentenoate
 prenol
 prenyl ethyl ether
 prenyl hexanoate
isopropyl 2-methyl butyrate
isopropyl benzoate
 propyl isobutyrate
 propylene acetal
 prune glycidate
 raspberry ketone methyl ether
 rhubarb undecane
 rose undecene
 terpinyl valerate
 tetrahydrofurfuryl butyrate
 tetrahydroionyl acetate
 timber dioxolane
4-(para-tolyl)-2-butanone
 tropical indene
 tropical ionone
 tropical thiazole
 violet dienyne
 viridiflorol
(odor and/or flavor) used in :
 carnation dianthus oeillet
 jonquil narcissus jonquilla
 mango
 mushroom
 myrtle
 peach
 raspberry
 reseda mignonette
 strawberry
natural occurrence in :
data pageheracleum paphlagonicum czeczott fruit oil turkey @ 0.20%



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