isoamyl acetate
Notes :
Oriental lifter.
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :3-methylbutyl acetate
InChI :InChI=1/C7H14O2/c1-6(2)4-5-9-7(3)8/h6H,4-5H2,1-3H3
InChIKey :MLFHJEHSLIIPHL-UHFFFAOYAI
SMILES :CC(C)CCOC(=O)C
(EINECS) number :204-662-3
eu annex :607-130-00-2
cas number :123-92-2
fema number :2055
coe number :214
jecfa number :43
fl. number :09.024
molar refractivity :36.21 ± 0.3 cm3
parachor :332.7 ± 4.0 cm3
index of refraction :1.404 ± 0.02
surface tension :25.5 ± 3.0 dyne/cm
density :0.879 ± 0.06 g/cm3
polarizability :14.35 ± 0.5 10-24cm3
xlogp : 2.10
molecular weight : 130.1848600
formula :C7 H14 O2
BioActivity Analysis :17388971
 
 
fda reg :172.515 h. number :2915.39.4550
organoleptics : 
odor type :fruity
odor strength :high ,
recommend smelling in a 1.00 % solution or less
odor description :
at 10.00 % in dipropylene glycol.  
sweet fruity banana solvent
taste description³ :at 30.00 ppm.  
Sweet fruity, banana-Iike with a green ripe nuance
substantivity :< 1 hour(s) at 100.00 %
properties : 
appearence :colorless clear liquid
assay : 99.00 - 100.00 %   
Food Chemicals Codex Listed :Yes
specific gravity :0.86000 - 0.87800 @ 25.00 °C.
pounds per gallon - calc. : 7.156 to 7.306
refractive index :1.40000 - 1.40400 @ 20.00 °C.
melting point : -78.00 °C. @ 760.00 mm Hg
boiling point : 142.00 °C. @ 756.00 mm Hg
boiling point : 30.00 °C. @ 2.00 mm Hg
acid value : 1.00  max.  KOH/g
logp : 2.26
shelf life : 24.00 month(s) or longer if stored properly.
storage :store in cool, dry place in tightly sealed containers, protected from heat and light.
safety : 
most important hazard(s) : Xi - Irritant
  
Oral Toxicity(LD50) : Oral-Rat    16600.00  mg/kg  YKYUA6  32,1241,1981
Dermal Toxicity(LD50) : Skin-Rabbit  >5.00  gm/kg  NTIS**  OTS0573010
  
flash point ( Deg. F. ) : 77.00  °F.  TCC  ( 25.00 °C. )
  
recommendation for isoamyl acetate usage levels up to :
  25.0000 % in the fragrance concentrate.
  
recommendation for isoamyl acetate usage levels up to :
  2700.0000 ppm in the flavor.
  
safety links : 
msds :msds
  
(EINECS) number :204-662-3
rtecs :NS9800000 for 123-92-2
chemidplus :000123922
epa-srs :123-92-2
dtp/nci :9260
  
other : 
  C of A
references : 
pubchem :173320
NIST Chemistry WebBook :2463083215
  
reference : Mosciano, Gerard P&F 16, No. 6, 43, (1991)³
synonyms :
 acetic acid 3-methyl butyl ester
 acetic acid isopentyl ester
isoamyl acetate
isoamyl ethanoate
3-methyl butyl acetate
beta-methyl butyl acetate
2-methyl butyl ethanoate
3-methyl butyl ethanoate
3-methyl-1-butanol acetate
3-methyl-1-butyl acetate
isopentyl acetate
isopentyl alcohol acetate
isopentyl ethanoate
soluble in :
 alcohol
 fixed oils
 kerosene
 paraffin oil
 water, 2000 mg/L @ 25C
insoluble in :
 water
 glycerin
 propylene glycol
(odor and/or flavor) blends with :
 allyl cyclohexyl propionate
isoamyl butyrate
alpha-amyl cinnamaldehyde
isoamyl isovalerate
isoamyl salicylate
para-anisaldehyde
 anise seed oil
 benzoin resinoid
 benzyl acetate
 benzyl cinnamate
 benzyl isobutyrate
 benzyl propionate
 benzyl salicylate
 bergamot oil
 blood orange oil
 cassia bark oil
 citronella oil
 citronellyl acetate
 coriander seed oil
 diethyl malonate
 dihydromyrcenol
 ethyl acetoacetate
 ethyl butyrate
 ethyl heptanoate
 floral pyranol
 geranyl acetate
 green acetate
(Z)-3-hexen-1-ol
(Z)-3-hexen-1-yl acetate
 hexyl 2-methyl butyrate
 lavender absolute
 litsea cubeba oil
 melon heptenal
 methyl dihydrojasmonate
 neryl acetate
 nonanol
(Z)-6-nonen-1-al
 ocean propanal
(Z)-5-octen-1-ol
 strawberry glycidate 1
 styralyl acetate
alpha-terpinyl acetate
gamma-undecalactone
 vanilla absolute
 woody acetate
(odor and/or flavor) used in :
 almond bitter almond
 apple
 apple red apple
 apricot
 banana
 blackberry
 blueberry
 blueberry whortleberry red whortleberry
 brandy
 bubblegum
 butterscotch
 carnation dianthus oeillet
 cherry
 chocolate cocoa
 coconut
 coffee
 crabapple blossom
 cranberry
 currant
 date
 floral
 fruit juicy fruit
 gooseberry
 grape
 grenadine
 hibiscus
 honey miel
 hops houblon
 huckleberry bilberry
 hyacinth jacinthe
 lemon
 lime
 melon watermelon muskmelon cantaloupe
 mint
 muguet lily of the valley
 mulberry
 nut pistachio
 orange
 oriental
 passion fruit
 peach
 pear
 pina colada
 pineapple
 plum
 quince
 raspberry
 rose
 strawberry
 tangerine
 tutti frutti
 vanilla
 violet
natural occurrence in :
apple
apple juice
banana
beer
butter
data pagechamomile oil @ 0.93%
cocoa bean
musa sapientum l.
strawberry



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