butyl valerate
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :butyl pentanoate
InChI :InChI=1/C9H18O2/c1-3-5-7-9(10)11-8-6-4-2/h3-8H2,1-2H3
InChIKey :OKJADYKTJJGKDX-UHFFFAOYAY
SMILES :CCCCC(=O)OCCCC
(EINECS) number :209-728-5
cas number :591-68-4
fema number :2217
coe number :466
jecfa number :160
fl. number :09.148
molar refractivity :45.51 ± 0.3 cm3
parachor :414.9 ± 4.0 cm3
index of refraction :1.418 ± 0.02
surface tension :27.8 ± 3.0 dyne/cm
density :0.876 ± 0.06 g/cm3
polarizability :18.04 ± 0.5 10-24cm3
xlogp : 3.00
molecular weight : 158.2380200
formula :C9 H18 O2
 
 
export tariff code :2915.60.0000
fda reg :unspecified
 

Suppliers :
Cargill - Alfrebro :n-BUTYL VALERATE
 natural, Kosher
 
Oxford Chemicals Ltd :BUTYL VALERATE
 ≥99.00%, NI, Kosher
 
Sigma-Aldrich-SAFC :Butyl valerate
 ≥98%
 
 

organoleptics :
odor type :fruity
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description :
at 10.00 % in dipropylene glycol.  
sweet fruity pineapple green raspberry tropical

properties :
appearence :colorless clear liquid
assay : 99.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.86100 - 0.87100 @ 25.00 °C.
pounds per gallon - calc. : 7.164 to 7.248
refractive index :1.40800 - 1.41600 @ 20.00 °C.
boiling point : 186.00 - 187.00 °C. @ 760.00 mm Hg
acid value : 1.00  max.  KOH/g
logp : 3.32

safety :
most important hazard(s) : Xi - Irritant
  
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
Maximised Survey-derived Daily Intakes (MSDI-EU) :3.70 (μg/capita/day)
  
flash point ( Deg. F. ) : 152.00  °F.  TCC  ( 66.67 °C. )
  
recommendation for butyl valerate usage levels up to :
  3.0000 % in the fragrance concentrate.
  
recommendation for butyl valerate usage levels up to :
  6.0000 ppm in the flavor.
  

safety links :
(EINECS) number :209-728-5
chemidplus :000591684
epa-srs :591-68-4
  
EPI System :Click here

other :
 

references :
jecfa number :160
fl. number :09.148
pubchem :197391
NIST Chemistry WebBook :1171170672
  
synonyms :
 butyl pentanoate
 butyl valerate
 butyl valerianate
 pentanoic acid butyl ester
 valeric acid butyl ester
soluble in :
 alcohol
 propylene glycol
 water, slightly
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 heptanoate
 allyl hexanoate
 allyl isovalerate
 allyl nonanoate
 allyl octanoate
 allyl phenoxyacetate
 allyl propionate
 allyl salicylate
 allyl sorbate
isoamyl 3-methyl thiopropionate
isoamyl benzoate
 amyl butyrate
isoamyl butyrate
isoamyl formate
 amyl hexanoate
isoamyl hexanoate
isoamyl isobutyrate
isoamyl isovalerate
isoamyl octanoate
 amyl propionate
isoamyl propionate
 benzyl ethyl ether
 benzyl isobutyrate
 benzyl isovalerate
 benzyl octanoate
 berry hexanoate
 berry pentadienoate
 bois de rose oil
 buchu mercaptan
isobutyl 2-butenoate
 butyl butyrate
isobutyl butyrate
isobutyl furyl propionate
 butyl hexanoate
isobutyl hexanoate
 butyl isobutyrate
isobutyl isobutyrate
 butyl isovalerate
isobutyl propionate
 cassis pentanone
 cherry pentenoate
 cinnamyl isobutyrate
 citronellyl acetate
 cognac heptanone
 coranol
 cubeb oil
beta-cyclocitral
 cyclohexyl butyrate
 cyclohexyl carboxylic acid
 cyclohexyl hexanoate
2-cyclopentyl cyclopentanone
alpha-decalactone
 diethyl malonate
 dihydrolinalool
 dimethyl succinate
3,6-dimethyl-3-octanol
 dipropyl trisulfide
(E,E)-2,4-dodecadien-1-ol
 ethyl (E,Z)-2,4-decadienoate
 ethyl (E)-2-octenoate
 ethyl (E)-4-decenoate
 ethyl (Z)-4-octenoate
 ethyl 2-cyclohexyl propionate
 ethyl 2-octenoate
 ethyl 3-(2-furyl) propanoate
 ethyl 3-acetoxyhexanoate
 ethyl 3-hexenoate
 ethyl 3-hydroxyhexanoate
 ethyl 3-methyl valerate
 ethyl 3-octenoate
 ethyl 3,5,5-trimethyl hexanoate
 ethyl acetoacetate
 ethyl butyrate
2-ethyl butyric acid
 ethyl cyclohexane propionate
 ethyl heptanoate
 ethyl hexanoate
 ethyl isovalerate
 ethyl levulinate
 ethyl linalool
 ethyl linalyl acetal
 ethyl linalyl acetate
 ethyl linalyl ether
 ethyl methyl mercaptopropionate
 ethyl nonanoate
 ethyl propionate
 ethyl salicylate
 ethyl valerate
 furfuryl propionate
 furfuryl valerate
 galbanum ketone
 galbanum oxyacetate
 genet absolute
 geranyl isovalerate
 geranyl methyl tiglate
 geranyl propionate
 grapefruit menthane
 heptanal cyclic ethylene acetal
 heptanal dimethyl acetal
2-heptanol
4-heptanone
2-hexen-1-al
(E)-2-hexen-1-al diethyl acetal
2-hexen-1-al diethyl acetal
2-hexen-1-ol
3-hexen-1-yl 2-methyl butyrate
(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 phenyl acetate
(E)-2-hexen-1-yl valerate
 hexyl (E)-2-hexenoate
 hexyl 2-butenoate
 hexyl 2-methyl butyrate
 hexyl 2-methyl-3-pentenoate
 hexyl acetate
 hexyl octanoate
 ho leaf oil
 ho wood oil
 hotrienol
2'-hydroxyacetophenone
 linalool
dextro-linalool
laevo-linalool
 linalool oxide
 linalyl anthranilate
 linalyl hexanoate
 lychee mercaptan acetate
 maltyl isobutyrate
 maltyl propionate
 mango thiol
 melon valerate
1-para-menthene-8-thiol
3-mercapto-2-butanone
3-mercaptohexyl acetate
3-mercaptohexyl butyrate
3-mercaptohexyl hexanoate
 methyl (E)-2-hexenoate
 methyl (E)-3-nonenoate
 methyl (E)-3-nonenoate
 methyl (Z)-4-octenoate
 methyl 2-(methyl thio) butyrate
 methyl 2-hexenoate
 methyl 2-methyl butyrate
 methyl 2-methyl valerate
 methyl 2-undecynoate
 methyl 4-(methyl thio) butyrate
 methyl 4-methyl valerate
2-methyl butyl 2-methyl butyrate
 methyl butyrate
 methyl heptanoate
 methyl hexanoate
 methyl isobutyrate
 methyl isovalerate
 methyl nonanoate
 methyl octenoate
 methyl R-3-acetoxyhexanoate
S-(methyl thio) hexanoate
 methyl thiomethyl butyrate
2-methyl valeraldehyde
 methyl valerate
(E)-2-methyl-2-octen-1-al
2-methyl-2-octen-1-al
3-methyl-3-pentanol
2-methyl-3,(5 or 6)-ethoxypyrazine
 nerolidyl isobutyrate
 nonyl acetate
beta-ocimene
(E,E)-3,5-octadien-2-one
delta-octalactone
 octen-1-yl cyclopentanone
2-octen-4-one
 octyl 2-methyl butyrate
 octyl butyrate
 octyl phenyl acetate
 passiflora acetate
1-penten-3-ol
2-pentyl furan
 phenethyl acetate
 phenethyl hexanoate
1-phenethyl mercaptan
 phenoxyethyl isobutyrate
2-phenyl propyl isobutyrate
 pineapple heptadienone 10%
 pineapple hydroxyhexanoate
 pineapple pentenoate
 plum crotonate
 prenol
 prenyl ethyl ether
 prenyl hexanoate
isopropyl 2-methyl butyrate
 propyl butyrate
isopropyl butyrate
isopropyl formate
 propyl heptanoate
 propyl hexanoate
isopropyl hexanoate
 propyl isobutyrate
isopropyl isobutyrate
isopropyl isovalerate
 propyl propionate
isopropyl propionate
 propylene acetal
 rhubarb undecane
 rose butanoate
 sorbyl isobutyrate
 sorbyl propionate
gamma-terpinene
 terpinyl propionate
 tetrahydrofurfuryl butyrate
 tetrahydrofurfuryl propionate
 tetrahydrolinalool
 timber dioxolane
S-tropical 2-thiobutyrate
 tropical 3-thiobutyrate
 tropical indene
 tropical ionone
 tropical oxathiane
 tropical thiazole
 tropical trithiane
2-undecanone
 vanilla carboxylate
 violet dienyne
 viridiflorol
(odor and/or flavor) used in :
 apple
 banana
 green
 pineapple
 raspberry
 tropical
 tutti frutti
 wine
natural occurrence in :
apple
banana
plum
vanilla
wine white wine



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