ethyl valerate
 
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IUPAC name :ethyl pentanoate
InChI :InChI=1/C7H14O2/c1-3-5-6-7(8)9-4-2/h3-6H2,1-2H3
InChIKey :ICMAFTSLXCXHRK-UHFFFAOYAC
SMILES :CCCCC(=O)OCC
(EINECS) number :208-726-1
cas number :539-82-2
fema number :2462
coe number :465
jecfa number :30
fl. number :09.147
molar refractivity :36.25 ± 0.3 cm3
parachor :335.3 ± 4.0 cm3
index of refraction :1.406 ± 0.02
surface tension :26.6 ± 3.0 dyne/cm
density :0.882 ± 0.06 g/cm3
polarizability :14.37 ± 0.5 10-24cm3
xlogp : 2.10
molecular weight : 130.1848600
formula :C7 H14 O2
 
 
fda reg :unspecified h. number :2915.60.0000
organoleptics : 
odor type :fruity
odor strength :high ,
recommend smelling in a 10.00 % solution or less
odor description :
at 10.00 % in dipropylene glycol.  
sweet fruity apple pineapple green berry tropical
taste description³ :at 30.00 ppm.  
Fruity, strawberry, sweet, estry, fruity, pineapple and tropical fruit
substantivity :4  Hour(s)
properties : 
appearence :colorless to pale yellow clear liquid
assay : 98.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.87000 - 0.87500 @ 25.00 °C.
pounds per gallon - calc. : 7.239 to 7.281
refractive index :1.39900 - 1.40400 @ 20.00 °C.
boiling point : 144.00 - 145.00 °C. @ 760.00 mm Hg
boiling point : 72.00 - 74.00 °C. @ 65.00 mm Hg
acid value : 1.00  max.  KOH/g
logp : 2.34
safety : 
most important hazard(s) : Xi - Irritant
  
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 102.00  °F.  TCC  ( 38.89 °C. )
  
recommendation for ethyl valerate usage levels up to :
  4.0000 % in the fragrance concentrate.
  
recommendation for ethyl valerate usage levels up to :
  260.0000 ppm in the flavor.
  
safety links : 
(EINECS) number :208-726-1
chemidplus :000539822
epa-srs :539-82-2
dtp/nci :8868
  
other : 
 
references : 
jecfa number :30
fl. number :09.147
pubchem :154185
NIST Chemistry WebBook :1496401821
  
reference : Mosciano, Gerard P&F 23, No. 2, 43, (1998)³
synonyms :
 ethyl N-valerate
 ethyl pentanoate
 ethyl valerate
 ethyl valerianate
 pentanoic acid ethyl ester
 valeric acid ethyl ester
soluble in :
 alcohol
 water, 2210 mg/L @ 25C
insoluble in :
 water
(odor and/or flavor) blends with :
 allyl 10-undecenoate
 allyl 3,5,5-trimethyl hexanoate
 allyl amyl glycolate
 allyl butyrate
 allyl cinnamate
 allyl cyclohexyl acetate
 allyl cyclohexyl butyrate
 allyl cyclohexyl propionate
 allyl cyclohexyl valerate
 allyl heptanoate
 allyl hexanoate
 allyl isovalerate
 allyl nonanoate
 allyl octanoate
 allyl phenoxyacetate
 allyl propionate
 allyl salicylate
 allyl sorbate
(E,E)-allyl sorbate
 amyl 2-methyl butyrate
isoamyl 2-methyl butyrate
isoamyl 3-(2-furan) propionate
isoamyl 3-methyl thiopropionate
 amyl butyrate
 amyl hexanoate
isoamyl hexanoate
 amyl isobutyrate
isoamyl isobutyrate
 amyl isovalerate
isoamyl isovalerate
isoamyl octanoate
 amyl propionate
isoamyl propionate
 amyl valerate
isoamyl valerate
para-anisyl methyl ketone
 apple crotonate
 apple ketal
 benzyl ethyl ether
 benzyl formate
 benzyl isovalerate
 benzyl methyl tiglate
 benzyl octanoate
 benzyl propionate
 bois de rose oil
isobornyl isovalerate
isobutyl 2-butenoate
isobutyl acetate
 butyl butyrate
isobutyl butyrate
isobutyl furyl propionate
 butyl heptanoate
 butyl hexanoate
isobutyl hexanoate
 butyl isobutyrate
isobutyl isobutyrate
 butyl isovalerate
isobutyl isovalerate
 butyl valerate
 cherry pentenoate
 cinnamyl isobutyrate
 cinnamyl isovalerate
 citronellyl isovalerate
 cognac heptanone
 coranol
 cubeb oil
 cyclohexyl butyrate
 cyclohexyl hexanoate
 cyclohexyl isovalerate
(E)-alpha-damascone
(Z)-alpha-damascone
alpha-damascone
gamma-damascone
3-decen-2-one
 diethyl 1-malate
 diethyl malonate
 dihydrolinalool
3,6-dimethyl-3-octanol
 ethyl (E,Z)-2,4-decadienoate
 ethyl (E)-2-decenoate
 ethyl (E)-2-octenoate
 ethyl (E)-4-decenoate
 ethyl (Z)-3-hexenoate
 ethyl (Z)-4-octenoate
 ethyl 2-methyl butyrate
 ethyl 3-(2-furyl) propanoate
 ethyl 3-hexenoate
 ethyl 3-hydroxyhexanoate
 ethyl 3-methyl valerate
 ethyl 3,5,5-trimethyl hexanoate
 ethyl acetoacetate
 ethyl butyrate
 ethyl cinnamate
 ethyl cyclohexane propionate
 ethyl decanoate
 ethyl heptanoate
 ethyl hexanoate
 ethyl levulinate
 ethyl linalool
 ethyl linalyl acetal
 ethyl linalyl acetate
 ethyl linalyl ether
 ethyl methyl mercaptopropionate
 ethyl propionate
 ethyl safranate
5-ethyl-2,3,4,5-tetramethyl-2-cyclohexen-1-one
5-ethyl-3,4,5,6-tetramethyl cyclohexen-2-one
 fruity ketal
 furfuryl valerate
 galbanum ketone
 galbanum oxathiane
 galbanum oxyacetate
 geranyl acetoacetate
 geranyl isovalerate
 geranyl methyl ethyl acetate
 grape butyrate
 green acetate
 green apple
2-heptanone
4-heptanone
 heptyl 2-methyl butyrate
 heptyl formate
 heptyl isobutyrate
 herbal ethanone
 hexanal diethyl acetal
(Z)-3-hexen-1-al
2-hexen-1-al
3-hexen-1-al
(E)-2-hexen-1-al diethyl acetal
(Z)-3-hexen-1-al diethyl acetal
2-hexen-1-al diethyl acetal
(E)-2-hexen-1-al dimethyl acetal
(Z)-3-hexen-1-al dimethyl acetal
(Z)-3-hexen-1-yl 2-methyl butyrate
3-hexen-1-yl 2-methyl butyrate
(E)-2-hexen-1-yl acetate
(Z)-3-hexen-1-yl acetate
(E)-2-hexen-1-yl butyrate
(Z)-3-hexen-1-yl butyrate
(Z)-3-hexen-1-yl isobutyrate
(E)-2-hexen-1-yl isovalerate
(Z)-3-hexen-1-yl isovalerate
(Z)-3-hexen-1-yl methyl carbonate
(E)-2-hexen-1-yl propionate
(Z)-3-hexen-1-yl propionate
(E)-2-hexen-1-yl valerate
(Z)-3-hexen-1-yl valerate
 hexyl 2-butenoate
 hexyl 2-furoate
 hexyl 2-methyl butyrate
 hexyl 3-mercaptobutanoate
 hexyl acetate
 hexyl butyrate
 hexyl formate
 hexyl isobutyrate
 hexyl octanoate
 ho leaf oil
 ho wood oil
 linalool
dextro-linalool
laevo-linalool
 linalool oxide
 linalyl anthranilate
 linalyl hexanoate
 maltyl propionate
 marine formate
 melon valerate
 methyl (Z)-4-octenoate
 methyl 2-hexenoate
 methyl 2-methyl butyrate
 methyl 2-methyl valerate
 methyl 4-(methyl thio) butyrate
 methyl 4-methyl valerate
2-methyl butyl isovalerate
 methyl butyrate
 methyl citronellate
 methyl heptenone
 methyl hexanoate
 methyl isobutyrate
 methyl isovalerate
 methyl octenoate
 methyl propionate
 methyl valerate
4-methyl-2-penten-1-al
2-methyl-3,(5 or 6)-ethoxypyrazine
 nonisyl acetate
 nonyl isovalerate
(Z)-5-octen-1-yl propionate
3-octyl acetate
 octyl phenyl acetate
(E)-2-penten-1-al
 phenethyl hexanoate
 phenoxyethyl isobutyrate
2-phenyl propyl isobutyrate
 pineapple heptadienone 10%
 pineapple hydroxyhexanoate
 pineapple pentenoate
isopropyl 2-methyl butyrate
 propyl butyrate
isopropyl butyrate
 propyl heptanoate
 propyl hexanoate
isopropyl hexanoate
isopropyl isobutyrate
 propyl isovalerate
isopropyl isovalerate
 propyl propionate
isopropyl propionate
 propyl tiglate
 sorbyl isobutyrate
 sorbyl propionate
 tetrahydrofurfuryl butyrate
 tetrahydrolinalool
 tolu balsam oil
(E)-2-tridecen-1-yl acetate
 tropical 3-thiobutyrate
 tropical ionone
 tropical oxathiane
2-undecanone
 vanilla carboxylate
(odor and/or flavor) used in :
 apple
 apricot
 banana
 berry
 cheese
 dairy
 fruit
 fruit tropical fruit
 mint
 pineapple
 rue
 strawberry
 wine
natural occurrence in :
apple
apricot
cheese parmesan cheese
fruits
guava fruit
mint
pineapple
rue oil
rum
strawberry
data pagetagete flower oil rwanda @ trace%
wine red wine
wine white wine



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