amyl isovalerate
 
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IUPAC name :pentyl 3-methylbutanoate
InChI :InChI=1/C10H20O2/c1-4-5-6-7-12-10(11)8-9(2)3/h9H,4-8H2,1-3H3
InChIKey :QURFFFCYNQXLCU-UHFFFAOYAO
SMILES :CCCCCOC(=O)CC(C)C
(EINECS) number :246-954-3
cas number :25415-62-7
fema number :2085
coe number :2224
fl. number :09.499
molar refractivity :50.11 ± 0.3 cm3
parachor :452.1 ± 4.0 cm3
index of refraction :1.421 ± 0.02
surface tension :27.4 ± 3.0 dyne/cm
density :0.872 ± 0.06 g/cm3
polarizability :19.86 ± 0.5 10-24cm3
xlogp : 3.50
molecular weight : 172.2646000
formula :C10 H20 O2
 
 
fda reg :unspecified h. number :2915.60.0000
organoleptics : 
odor type :fruity
odor strength :medium
odor description :
at 100.00 %.  
apple fresh fruity
substantivity :4  Hour(s)
properties : 
appearence :colorless clear liquid
assay : 97.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.85600 - 0.86200 @ 25.00 °C.
pounds per gallon - calc. : 7.123 to 7.173
refractive index :1.41300 - 1.41500 @ 20.00 °C.
boiling point : 169.00 - 170.00 °C. @ 760.00 mm Hg
boiling point : 88.00 - 89.00 °C. @ 50.00 mm Hg
logp : 3.71
safety : 
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
Maximised Survey-derived Daily Intakes (MSDI) :11.00 (μg/capita/day)
  
flash point ( Deg. F. ) : 160.00  °F.  TCC  ( 71.11 °C. )
  
recommendation for amyl isovalerate usage levels up to :
  8.0000 % in the fragrance concentrate.
  
recommendation for amyl isovalerate usage levels up to :
  350.0000 ppm in the flavor.
  
safety links : 
(EINECS) number :246-954-3
chemidplus :025415627
epa-srs :25415-62-7
dtp/nci :46107
  
other : 
 
references : 
pubchem :673173
NIST Chemistry WebBook :2026161122
  
synonyms :
 amyl isovalerate
3-methyl butanoic acid pentyl ester
 pentyl 3-methyl butyrate
 pentyl isovalerate
1-pentyl isovalerate
isovaleric acid pentyl ester
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) blends with :
 allyl cyclohexyl propionate
 allyl hexanoate
isoamyl acetate
isoamyl butyrate
alpha-amyl cinnamaldehyde
isoamyl salicylate
 amyris wood oil
para-anisyl acetate
 benzaldehyde
 benzyl acetate
 bergamot oil
 blood orange oil
 bois de rose oil
 citrus
gamma-decalactone
 decanal
 decanol
 diethyl malonate
 dimethyl benzyl carbinyl butyrate
 ethyl acetoacetate
 ethyl butyrate
 ethyl cinnamate
 ethyl heptanoate
 ethyl vanillin
 floral pyranol
 gardenia oxide
 grapefruit oil
 green acetate
(Z)-3-hexen-1-yl acetate
 melon heptenal
 neryl acetate
 nonanal
 nonanol
 ocean propanal
 petitgrain oil
 phenethyl isobutyrate
 raspberry ketone methyl ether
 strawberry furanone
para-tolyl aldehyde
 violet leaf absolute
 ylang ylang oil
(odor and/or flavor) used in :
 apple
 apple green apple
 apricot
 banana
 blackberry
 blueberry
 blueberry whortleberry red whortleberry
 boysenberry
 bramble arctic bramble
 cherry
 cherry black cherry
 cloudberry bakeapple
 currant
 currant black currant
 date
 fruit
 fruit juicy fruit
 fruit tropical fruit
 gooseberry
 grape
 grenadine
 honey miel
 huckleberry bilberry
 jackfruit
 kiwi
 loganberry dewberry
 lychee soapberry
 mango
 melon watermelon muskmelon cantaloupe
 mint
 modifier
 mulberry
 nut walnut
 olive
 papaya
 passion fruit
 peach
 pear
 pineapple
 plum
 plum greengage plum
 plum mirabelle plum
 quince
 raspberry
 raspberry black raspberry
 spice
 starfruit
 strawberry
 tomato
 tutti frutti
natural occurrence in :
data pageosmanthus absolute @ 0.008%



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