amyl octanoate
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :pentyl octanoate
InChI :InChI=1/C13H26O2/c1-3-5-7-8-9-11-13(14)15-12-10-6-4-2/h3-12H2,1-2H3
InChIKey :GJWGZSBNFSBUPX-UHFFFAOYAP
SMILES :CCCCCCCC(=O)OCCCCC
(EINECS) number :211-328-0
cas number :638-25-5
fema number :2079
coe number :393
jecfa number :174
fl. number :09.112
molar refractivity :64.05 ± 0.3 cm3
parachor :574.0 ± 4.0 cm3
index of refraction :1.432 ± 0.02
surface tension :29.3 ± 3.0 dyne/cm
density :0.869 ± 0.06 g/cm3
polarizability :25.39 ± 0.5 10-24cm3
xlogp : 5.30
molecular weight : 214.3443400
formula :C13 H26 O2
 
 
export tariff code :2915.90.0000
fda reg :unspecified
 

Suppliers :
Cargill - Alfrebro :n-AMYL(PENTYL) OCTANOATE
 Kosher
 
Sigma-Aldrich-SAFC :N-Amyl octanoate
 ≥98%
 
Sigma-Aldrich-SAFC :N-Amyl octanoate
 ≥98%, mixture of isomers, FCC
 
 

organoleptics :
odor type :orris
odor strength :medium
odor description :
at 100.00 %.  
orris sweet wine

properties :
appearence :colorless clear liquid
assay : 98.00 - 100.00 %   sum of isomers
Food Chemicals Codex Listed :Yes
specific gravity :0.85500 - 0.86100 @ 25.00 °C.
pounds per gallon - calc. : 7.114 to 7.164
refractive index :1.42500 - 1.42900 @ 20.00 °C.
melting point : -34.00 - -35.00 °C. @ 760.00 mm Hg
boiling point : 260.00 - 261.00 °C. @ 760.00 mm Hg
boiling point : 124.00 - 216.00 °C. @ 12.00 mm Hg
acid value : 1.00  max.  KOH/g
logp : 5.28

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
Maximised Survey-derived Daily Intakes (MSDI-EU) :3.40 (μg/capita/day)
  
flash point ( Deg. F. ) :> 230.00  °F.  TCC  ( > 110.00 °C. )
  
recommendation for amyl octanoate usage levels up to :
  2.0000 % in the fragrance concentrate.
  
recommendation for amyl octanoate usage levels up to :
  5.0000 ppm in the flavor.
  

safety links :
(EINECS) number :211-328-0
chemidplus :000638255
epa-srs :638-25-5
dtp/nci :23940
  
EPI System :Click here

other :
 

references :
jecfa number :174
fl. number :09.112
pubchem :197445
NIST Chemistry WebBook :1365569682
  
synonyms :
 amyl caprylate
 amyl octanoate
 amyl octoate
 amyl octylate
 octanoic acid pentyl ester
 pentyl octanoate
 pentyl octylate
soluble in :
 alcohol
 fixed oils
insoluble in :
 water
 glycerin
(odor and/or flavor) blends with :
 allyl heptanoate
 allyl nonanoate
 allyl octanoate
isoamyl acetoacetate
isoamyl isobutyrate
isoamyl laurate
isoamyl tiglate
2-amyl-5 or 6-keto-1,4-dioxane
 benzaldehyde dimethyl acetal
isobutyl acetoacetate
isobutyl alcohol
 butyl angelate
 butyl anthranilate
isobutyl decanoate
 butyl hexanoate
 butyl undecylenate
isobutyraldehyde propylene glycol acetal
 chamomile oil
 cognac oil green
 cognac oil white
 costus root absolute
 costus root oil
 costus root resinoid
2-cyclohexyl cyclohexanone
 cyclohexyl ethyl alcohol
3-decanone
(Z)-4-decen-1-ol
 decyl butyrate
 decyl propionate
 diethyl 1-malate
 diethyl dimethyl-2-cyclohexenone
 diethyl laevo-tartrate
 diethyl malate
 diethyl sebacate
 dihydro-alpha-ionone
 dihydro-beta-ionone
 dimethyl anthranilate
 dimethyl ionone
(E,E)-2,4-dodecadien-1-ol
 ethyl (E)-2-decenoate
 ethyl (E)-4-decenoate
 ethyl 3,5,5-trimethyl hexanoate
 ethyl aconitate
 ethyl butyrate
 ethyl chrysanthemate
 ethyl decanoate
 ethyl formate
 ethyl heptanoate
 ethyl laurate
 ethyl myristate
 ethyl nonanoate
 ethyl octanoate
 ethyl palmitate
 ethyl undecanoate
 ethyl undecylenate
2-ethyl-4-butanol
 eugenyl formate
isoeugenyl formate
 farnesyl acetone
 formoxymethyl isolongifolene
1-furfuryl pyrrole
 geranyl acetoacetate
(E)-geranyl acetone
 geranyl hexanoate
4-heptanone
 hexanal diethyl acetal
2-hexanol
3-hexanone
(Z)-3-hexen-1-yl 2-methyl-2-pentenoate
(E)-2-hexen-1-yl acetate
(Z)-3-hexen-1-yl butyrate
(Z)-3-hexen-1-yl hexanoate
(Z)-3-hexen-1-yl propionate
(E)-2-hexen-1-yl valerate
 hexyl 2-furoate
 hexyl 2-methyl butyrate
 hexyl isobutyrate
 hexyl phenyl acetate
(E)-beta-ionone
alpha-ionone
alpha-irone
 methyl 2-undecynoate
 methyl 2,4-decadienoate
 methyl alpha-ionone
 methyl butyl phenyl acetate
 methyl citronellate
 methyl decanoate
 methyl heptanoate
 methyl hydrocinnamate
iso-alpha-methyl ionone
N-methyl ionone
(E)-alpha-methyl ionone (74-80%)
 methyl ionone gamma supreme
 methyl nonanoate
 methyl undecanoate
2-methyl-1-butanol
4-methyl-2-penten-1-al
 myristyl alcohol
 nonanal
3-nonanon-1-yl acetate
(Z)-2-nonen-1-al
(Z)-6-nonen-1-al
(E)-2-nonen-1-yl acetate
 nonisyl acetate
(E)-2-octen-1-yl acetate
(E)-2-octen-1-yl butyrate
 octyl 2-methyl butyrate
 octyl butyrate
 opoponax oil
 opoponax resinoid
 orange oil bitter
 orris butanal
 orris capronate
 orris hexanone
 orris pyridine
2-pentanone
 phenethyl hexanoate
 phenethyl senecioate
 phytyl acetate
 propionaldehyde
para-isopropyl acetophenone
 propyl heptanoate
 sorbyl butyrate
 sorbyl propionate
 terpinyl cinnamate
 tmh aldehyde
(E)-2-tridecen-1-yl acetate
2-undecanone
10-undecen-1-ol
 waxy aldehyde
 woody nonane
(odor and/or flavor) used in :
 chocolate
 orris iris
natural occurrence in :
not found in nature



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