isopropyl 2-methyl butyrate
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Notes :
Blends well with floral notes.
 
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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
cas number :66576-71-4
(EINECS) number :266-411-4
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 (IUPAC)
formula :C8 H16 O2
NMR Predictor :Predict
 
 
export tariff code :2915.60.0000
fda reg :unspecified
Suppliers :
Berje :isoPropyl 2-Methyl Butyrate
Frutarom :ISOPROPYL 2-METHYLBUTYRATE
≥98.00%, NI, Kosher
Odor:  Fruity, Green, Sweet, Tropical
Suggested Uses: Apple, Citrus Fruits, Hard Fruits, Orange, Pineapple, Soft Fruits, Strawberry, Tropical Fruits
Givaudan :Isopropyl Methyl-2-Butyrate
Odor:  Fruity, Pear, Pineapple, Green, Fresh, Diffusive
Isopropyl Methyl-2-Butyrate is used for green-fruity accords like pear and apple. It provides significant freshness to perfumes in combination with floral elements.
Grau Aromatics :iso-PROPYL-2-METHYLBUTYRATE
NI, Kosher
Inoue :isoPROPYL 2-METHYL BUTYRATE
Moellhausen :isopropyl 2-methyl butyrate
98.5% min. nature identical kosher
Odor:  fresh fruity, strawberry connotations, somewhat camphoraceous
Flavor:  fresh fruity, sweet; apple, pineapple, tutti frutti with citrus nuances
Penta :isopropyl 2-methyl butyrate
SAFC Global® :Isopropyl 2-methylbutyrate
≥98%, Kosher
Odor:  oily; pineapple; sweet; ethereal; green
Vigon :Isopropyl 2-Methyl Butyrate
Odor:  Fruity, Pear, Pineapple, Green, Fresh, Diffusive
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 ethereal tropical pineapple
odor description:
Fruity, sweet, green, oily, etherial and lifting, tropical with a pineapple nuance
Mosciano, Gerard P&F 18, No. 3, 53, (1993)
taste description:
at 10.00 ppm.  		Fruity, sweet, apple, pineapple, green, with tutti frutti citrus nuances
Mosciano, Gerard P&F 18, No. 3, 53, (1993)
properties :
appearence :colorless clear liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.85000 to 0.85600 @ 25.00 °C.
pounds per gallon - calc. : 7.073 to 7.123
refractive index :1.39400 to 1.39800 @ 20.00 °C.
boiling point : 140.00 to 144.00 °C. @ 727.00 mm Hg
acid value : 1.00  max.  KOH/g
vapor density :4.9 ( Air = 1 )
flash point : 91.00  °F.  TCC  ( 32.78 °C. )
logP (o/w) : 2.47
safety :
most important hazard(s) :Xi - Irritant
  R 10 - Flammable.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavor and fragrance agents
 
recommendation for isopropyl 2-methyl butyrate fragrance usage levels up to :
  2.0000 % in the fragrance concentrate.
recommendation for isopropyl 2-methyl butyrate flavor usage levels up to :
  10.0000 ppm in the flavor.
safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
WISER :UN 3272
 
WGK Germany :3
 
 
 
 
propan-2-yl 2-methylbutanoate
(EINECS) number :266-411-4
chemidplus :066576714
EPA Substance Registry Services :66576-71-4
references :
 
propan-2-yl 2-methylbutanoate
fl. number :09.547
jecfa number :210
NIST Chemistry WebBook :4124710108
pubchem :199008
other :
VCF-Online: VCF Volatile Compounds in Food
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
1-methyl ethyl 2-methyl butanoate
 propan-2-yl 2-methylbutanoate
isopropyl 2-methyl butanoate
 strawberry butyrate
Similar Products:    note
isoamyl 2-methyl butyrate
 amyl 2-methyl butyrate
 benzyl 2-methyl butyrate
 bornyl 2-methyl butyrate
 butyl 2-methyl butyrate
isobutyl 2-methyl butyrate
 citronellyl 2-methyl butyrate
 ethyl 2-hydroxy-2-methyl butyrate
(±)-ethyl 3-acetoxy-2-methyl butyrate
(±)-ethyl 3-hydroxy-2-methyl butyrate
 ethyl 2-methyl butyrate
 furfuryl 2-methyl butyrate
 geranyl 2-methyl butyrate
 heptyl 2-methyl butyrate
(E)-2-hexen-1-yl 2-methyl butyrate
(Z)-3-hexen-1-yl 2-methyl butyrate
3-hexen-1-yl 2-methyl butyrate
 hexyl 2-methyl butyrate
 methyl 3-acetoxy-2-methyl butyrate
2-methyl butyl 2-methyl butyrate
 octyl 2-methyl butyrate
 propyl 2-methyl butyrate
 propylene glycol di-2-methyl butyrate
 propylene glycol mono-2-methyl butyrate
soluble in :
 alcohol
insoluble in :
 water
stability :
 alcoholic, good
 antiperspirant spray, moderate
 liquid bleach, poor
 powder detergent, good
 soap, good
 toiletry, good
potential blenders :    note
 allyl amyl glycolateFR
 allyl butyrateFL/FR
 allyl heptanoateFL/FR
isoamyl benzoateFL/FR
isoamyl butyrateFL/FR
isoamyl isovalerateFL/FR
isoamyl octanoateFL/FR
 boronia absoluteFL/FR
 buchu mercaptanFL/FR
 butyl isobutyrateFL/FR
isobutyl propionateFL/FR
 cassis pentanoneFL/FR
 cherry pentenoateFL/FR
beta-cyclocitralFL/FR
2-cyclopentyl cyclopentanoneFL/FR
alpha-decalactoneFR
 diethyl malonateFL/FR
 dimethyl succinateFL/FR
(E,E)-2,4-dodecadien-1-olFR
 ethyl (E,Z)-2,4-decadienoateFL/FR
 ethyl (E)-2-octenoateFL
 ethyl 2-cyclohexyl propionateFR
 ethyl 2-octenoateFL/FR
 ethyl 3-acetoxyhexanoateFL/FR
 ethyl 3-methyl valerateFL/FR
 ethyl 3-octenoateFL
 ethyl 3,5,5-trimethyl hexanoateFR
 ethyl acetoacetateFL/FR
 ethyl methyl mercaptopropionateFL/FR
 furfuryl propionateFL
 galbanum ketoneFR
 geranyl methyl tiglate 
 heptanal cyclic ethylene acetalFR
 heptanal dimethyl acetalFL/FR
2-heptanolFL/FR
2-hexen-1-alFL
(E)-2-hexen-1-al diethyl acetalFL
2-hexen-1-al diethyl acetalFL
2-hexen-1-olFL/FR
(E)-3-hexen-1-yl acetateFL/FR
(E)-2-hexen-1-yl formateFL/FR
(E)-2-hexen-1-yl hexanoateFL/FR
(Z)-3-hexen-1-yl hexanoateFL/FR
(Z)-3-hexen-1-yl isobutyrateFL/FR
 hexyl (E)-2-hexenoateFL
 hexyl 2-butenoateFL/FR
 hexyl acetateFL/FR
 hexyl octanoateFL/FR
 maltyl isobutyrateFL/FR
 melon valerateFL/FR
 methyl (E)-2-hexenoateFL
 methyl (E)-3-nonenoateFL/FR
 methyl (E)-3-nonenoateFL
 methyl 2-(methyl thio) butyrateFL
 methyl 2-undecynoateFL
 methyl heptanoateFL/FR
 methyl R-3-acetoxyhexanoate 
 methyl thiomethyl butyrateFL
2-methyl valeraldehydeFL
(E)-2-methyl-2-octen-1-alFL
2-methyl-2-octen-1-alFL
3-methyl-3-pentanolFL
 nerolidyl isobutyrateFR
(E,E)-3,5-octadien-2-oneFL
 octen-1-yl cyclopentanoneFL/FR
 octyl 2-methyl butyrateFL/FR
 passiflora acetateFL/FR
1-penten-3-olFL/FR
2-pentyl furanFL/FR
 phenethyl acetateFL/FR
 phenoxyethyl isobutyrateFL/FR
 pineapple heptadienone 10%FR
 pineapple pentenoateFL/FR
 prenyl hexanoateFL/FR
isopropyl isobutyrateFL/FR
isopropyl isovalerateFL/FR
 propylene acetalFL/FR
 rhubarb undecaneFR
 tetrahydrofurfuryl butyrateFL/FR
 timber dioxolaneFR
 tropical 3-thiobutyrateFL/FR
 tropical indeneFR
 tropical iononeFL/FR
 tropical thiazoleFL/FR
 violet dienyneFR
 viridiflorolFL/FR
potential uses :
 apple
 berry
 citrus
 fruit tropical fruit
 green
 pear
 pineapple
 strawberry
 tutti frutti
natural occurrence in :    note
data pageheracleum paphlagonicum czeczott fruit oil turkey @ 0.50% S
data pagelaurel leaf oil turkey @ trace% S
 strawberry S

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