isopropyl 2-methyl butyrate
Notes :
Blends well with floral notes.
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :propan-2-yl 2-methylbutanoate
InChI :InChI=1/C8H16O2/c1-5-7(4)8(9)10-6(2)3/h6-7H,5H2,1-4H3
InChIKey :DIRDKDDFAMNBNY-UHFFFAOYAW
SMILES :CCC(C)C(=O)OC(C)C
(EINECS) number :266-411-4
cas number :66576-71-4
fema number :3699
jecfa number :210
fl. number :09.547
molar refractivity :40.80 ± 0.3 cm3
parachor :369.9 ± 4.0 cm3
index of refraction :1.409 ± 0.02
surface tension :25.3 ± 3.0 dyne/cm
density :0.874 ± 0.06 g/cm3
polarizability :16.17 ± 0.5 10-24cm3
xlogp : 2.20
molecular weight : 144.2114400
formula :C8 H16 O2
 
 
export tariff code :2915.60.0000
fda reg :unspecified
 

Suppliers :
Givaudan :Isopropyl Methyl-2-Butyrate
 
Oxford Chemicals Ltd :ISOPROPYL 2-METHYLBUTYRATE
 ≥98.00%, NI, Kosher
 
Sigma-Aldrich-SAFC :Isopropyl 2-methylbutyrate
 ≥98%, Kosher
 
 

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

properties :
appearence :colorless clear liquid
assay : 98.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.85000 - 0.85600 @ 25.00 °C.
pounds per gallon - calc. : 7.073 to 7.123
refractive index :1.39400 - 1.39800 @ 20.00 °C.
boiling point : 140.00 - 144.00 °C. @ 727.00 mm Hg
acid value : 1.00  max.  KOH/g
logp : 2.47

safety :
most important hazard(s) : Xi - Irritant
  
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 91.00  °F.  TCC  ( 32.78 °C. )
  
recommendation for isopropyl 2-methyl butyrate usage levels up to :
  2.0000 % in the fragrance concentrate.
  
recommendation for isopropyl 2-methyl butyrate usage levels up to :
  10.0000 ppm in the flavor.
  

safety links :
(EINECS) number :266-411-4
chemidplus :066576714
epa-srs :66576-71-4
  

other :
 

references :
jecfa number :210
fl. number :09.547
pubchem :199008
NIST Chemistry WebBook :4124710108
  
synonyms :
1-methyl ethyl 2-methyl butanoate
isopropyl 2-methyl butanoate
isopropyl 2-methyl butyrate
 strawberry butyrate
soluble in :
 alcohol
insoluble in :
 water
stability :
 alcoholic, good
 antiperspirant spray, moderate
 liquid bleach, poor
 powder detergent, good
 soap, good
 toiletry, good
(odor and/or flavor) blends with :
 allyl amyl glycolate
 allyl butyrate
 allyl heptanoate
isoamyl benzoate
isoamyl butyrate
isoamyl isovalerate
isoamyl octanoate
 boronia absolute
 buchu mercaptan
 butyl isobutyrate
isobutyl propionate
 cassis pentanone
 cherry pentenoate
beta-cyclocitral
2-cyclopentyl cyclopentanone
alpha-decalactone
 diethyl malonate
 dimethyl succinate
(E,E)-2,4-dodecadien-1-ol
 ethyl (E,Z)-2,4-decadienoate
 ethyl (E)-2-octenoate
 ethyl 2-cyclohexyl propionate
 ethyl 2-octenoate
 ethyl 3-acetoxyhexanoate
 ethyl 3-methyl valerate
 ethyl 3-octenoate
 ethyl 3,5,5-trimethyl hexanoate
 ethyl acetoacetate
 ethyl methyl mercaptopropionate
 furfuryl propionate
 galbanum ketone
 geranyl methyl tiglate
 heptanal cyclic ethylene acetal
 heptanal dimethyl acetal
2-heptanol
2-hexen-1-al
(E)-2-hexen-1-al diethyl acetal
2-hexen-1-al diethyl acetal
2-hexen-1-ol
(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
 hexyl (E)-2-hexenoate
 hexyl 2-butenoate
 hexyl acetate
 hexyl octanoate
 maltyl isobutyrate
 melon valerate
 methyl (E)-2-hexenoate
 methyl (E)-3-nonenoate
 methyl (E)-3-nonenoate
 methyl 2-(methyl thio) butyrate
 methyl 2-undecynoate
 methyl heptanoate
 methyl R-3-acetoxyhexanoate
 methyl thiomethyl butyrate
2-methyl valeraldehyde
(E)-2-methyl-2-octen-1-al
2-methyl-2-octen-1-al
3-methyl-3-pentanol
 nerolidyl isobutyrate
(E,E)-3,5-octadien-2-one
 octen-1-yl cyclopentanone
 octyl 2-methyl butyrate
 passiflora acetate
1-penten-3-ol
2-pentyl furan
 phenethyl acetate
 phenoxyethyl isobutyrate
 pineapple heptadienone 10%
 pineapple pentenoate
 prenyl hexanoate
isopropyl isobutyrate
isopropyl isovalerate
 propylene acetal
 rhubarb undecane
 tetrahydrofurfuryl butyrate
 timber dioxolane
 tropical 3-thiobutyrate
 tropical indene
 tropical ionone
 tropical thiazole
 violet dienyne
 viridiflorol
(odor and/or flavor) used in :
 apple
 berry
 citrus
 fruit tropical fruit
 green
 pear
 pineapple
 strawberry
 tutti frutti
natural occurrence in :
data pageheracleum paphlagonicum czeczott fruit oil turkey @ 0.50%
data pagelaurel leaf oil turkey @ trace%
strawberry



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