amyl isobutyrate
Suppliers  organoleptics  properties  safety  references  cosmetics    FEMA Index    Home Page
 
Right Click Jmol Molecule For More Options. (Safari 1.2 (v125) Compatible). Jmol is a free download found Here.
 
IUPAC name :pentyl 2-methylpropanoate
InChI :InChI=1/C9H18O2/c1-4-5-6-7-11-9(10)8(2)3/h8H,4-7H2,1-3H3
InChIKey :UYGGIIOLYXRSQY-UHFFFAOYAE
SMILES :CCCCCOC(=O)C(C)C
cas number :2445-72-9
(EINECS) number :219-494-6
coe number :293
fl. number :09.418
molar refractivity :45.47 ± 0.3 cm3
parachor :412.3 ± 4.0 cm3
index of refraction :1.416 ± 0.02
surface tension :26.9 ± 3.0 dyne/cm
density :0.874 ± 0.06 g/cm3
polarizability :18.02 ± 0.5 10-24cm3
XlogP : 2.70
XlogP3 : 3.00
molecular weight : 158.2380200 (IUPAC) (PT) (112)
formula :C9 H18 O2
pherobase floral:view
NMR Predictor :Predict
 
 
export tariff code :2915.60.0000
fda reg :unspecified
Suppliers :
Grau Aromatics :AMYL-iso-BUTYRATE (n-AMYL-iso-BUTYRATE)
NI, Kosher
Inoue :AMYL ISOBUTYRATE
Penta :amyl isobutyrate
Pfaltz & Bauer :Amyl Isobutyrate
organoleptics :
odor type :fruity
odor strength :medium
odor description:
at 100.00 %.  		fruity apple banana apricot
properties :
appearence :colorless clear liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.85300 to 0.86200 @ 25.00 °C.
pounds per gallon - calc. : 7.098 to 7.173
refractive index :1.39100 to 1.42100 @ 20.00 °C.
boiling point : 176.00 to 177.00 °C. @ 760.00 mm Hg
flash point : 139.00  °F.  TCC  ( 59.44 °C. )
logP (o/w) : 3.18
safety :
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavor and fragrance agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :1.30 (μg/capita/day)
modified Theoretical Added Maximum Daily Intake (mTAMDI) :3500 (μg/person/day)
Threshold of concern :1800 (μg/person/day)
Structure Class :I
 
recommendation for amyl isobutyrate fragrance usage levels up to :
  5.0000 % in the fragrance concentrate.
 
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note : mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0) : 7.0000035.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0) : 5.0000025.00000
Edible ices, including sherbet and sorbet (03.0) : 10.0000050.00000
Processed fruit (04.1) : 7.0000035.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2) : --
Confectionery (05.0) : 10.0000050.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0) : 5.0000025.00000
Bakery wares (07.0) : 10.0000050.00000
Meat and meat products, including poultry and game (08.0) : 2.0000010.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0) : 2.0000010.00000
Eggs and egg products (10.0) : --
Sweeteners, including honey (11.0) : --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0) : 5.0000025.00000
Foodstuffs intended for particular nutritional uses (13.0) : 10.0000050.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1) : 5.0000025.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2) : 10.0000050.00000
Ready-to-eat savouries (15.0) : --
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0) : 5.0000025.00000
safety references :
European Food Safety Athority(efsa) :Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
 
 
 
pentyl 2-methylpropanoate
(EINECS) number :219-494-6
chemidplus :002445729
EPA Substance Registry Services :2445-72-9
references :
 
pentyl 2-methylpropanoate
fl. number :09.418
NIST Chemistry WebBook :3788323581
pubchem :217774
Cosmetics :
Cosmetic uses : perfuming agents
other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
FMA :listed
synonyms :
2-methyl propanoic acid pentyl ester
 pentyl 2-methyl propanoate
 pentyl 2-methylpropanoate
 pentyl isobutyrate
Similar Products:    note
 amyl butyrate
isoamyl butyrate
isoamyl isobutyrate
soluble in :
 alcohol
insoluble in :
 water
potential blenders :    note
 allyl isovalerateFL/FR
 allyl propionateFL/FR
 allyl salicylateFR
 amyl 2-methyl butyrateFL/FR
 amyl acetateFL/FR
isoamyl acetateFL/FR
 amyl butyrateFL/FR
 amyl heptanoateFL/FR
isoamyl hexanoateFL/FR
 amyl isovalerateFL/FR
isoamyl propionateFL/FR
isoamyl valerateFL/FR
 apple ketalFL/FR
 apricot isobutyrateFR
 benzyl heptanoateFR
 benzyl isovalerateFL/FR
 benzyl propionateFL/FR
2-butanolCS
 butyl acetateFL/FR
 butyl heptanoateFL/FR
 butyl isovalerateFL/FR
isobutyl isovalerateFL/FR
 cyclohexyl butyrateFL/FR
 cyclohexyl formateFL/FR
 cyclohexyl isovalerateFL/FR
 cyclohexyl propionateFL/FR
alpha-damasconeFL/FR
gamma-damasconeFR
 decen-1-yl cyclopentanoneFL/FR
3-decen-2-oneFL/FR
 diethyl 1-malateFL
 diethyl maleateFL
alpha,alpha-dimethyl benzyl isobutyrateFL/FR
2-ethyl butyl acetateFL/FR
 ethyl decanoateFL/FR
 ethyl isovalerateFL/FR
 ethyl valerateFL/FR
 fruity ketalFL/FR
 furfuryl acetateFL/FR
 geranyl 2-methyl butyrateFL/FR
 geranyl isovalerateFL/FR
 heptyl 2-methyl butyrateFL
(Z)-3-hexen-1-al diethyl acetalFL/FR
(E)-2-hexen-1-al dimethyl acetalFL
(Z)-3-hexen-1-al dimethyl acetal 
(Z)-3-hexen-1-yl acetateFL/FR
(E)-2-hexen-1-yl butyrateFL/FR
(Z)-3-hexen-1-yl isobutyrateFL/FR
(E)-2-hexen-1-yl propionateFL/FR
(E)-2-hexen-1-yl valerateFL
(Z)-3-hexen-1-yl valerateFL/FR
 hexyl 2-methyl butyrateFL/FR
 hexyl butyrateFL/FR
 hexyl formateFL/FR
 hexyl isobutyrateFL/FR
 linalyl butyrateFL/FR
 marine formateFR
 methyl 4-methyl valerateFL
 methyl butyrateFL
 methyl citronellateFL/FR
 methyl isovalerateFL/FR
 methyl valerateFL/FR
 nonyl isovalerateFL/FR
(E)-2-penten-1-alFL/FR
 prenyl acetateFL/FR
isopropyl acetateFL/FR
 propyl butyrateFL/FR
 propyl heptanoateFL/FR
 propyl isovalerateFL/FR
isopropyl isovalerateFL/FR
isopropyl octanoateFL/FR
potential uses :
 appleFR
 apricotFR
 bananaFR
 cherryFR
 fruitFR
 fruit tropical fruit 
 pearFR
 plumFR
 tangerineFR
 tropicalFL
natural occurrence in :    note
 juniperus communis S
 strychnos spinosa (monkey orange) - 25 mg/kg S


Please share your Information / Comments.

Your email Address:


Top of Page          The Good Scents Company Home
Copyright © 1980-2010 The Good Scents Company Disclaimer Privacy Policy
Html Last modified 06/16/2010