amyl 2-methyl butyrate
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IUPAC name :pentyl 2-methylbutanoate
InChI :InChI=1/C10H20O2/c1-4-6-7-8-12-10(11)9(3)5-2/h9H,4-8H2,1-3H3
InChIKey :RHNBXPIJLXBHMF-UHFFFAOYAX
SMILES :CCCCCOC(=O)C(C)CC
cas number :68039-26-9
(EINECS) number :268-244-2
coe number :10875
fl. number :09.679
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 : 3.30
XlogP3-AA : 3.30
molecular weight : 172.2646000 (IUPAC) (PT) (112)
formula :C10 H20 O2
NMR Predictor :Predict
 
 
export tariff code :2915.60.0000
fda reg :unspecified
Suppliers :
Grau Aromatics :AMYL-2-METHYLBUTYRATE
NI, Kosher
Inoue :AMYL 2-METHYL BUTYRATE
organoleptics :
odor type :fruity
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description:
at 10.00 % in dipropylene glycol.  		apple fruity
properties :
appearence :colorless clear liquid
assay : 99.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.85800 to 0.86400 @ 25.00 °C.
pounds per gallon - calc. : 7.139 to 7.189
refractive index :1.41200 to 1.41600 @ 20.00 °C.
boiling point : 194.00 to 195.00 °C. @ 760.00 mm Hg
flash point : 156.00  °F.  TCC  ( 68.89 °C. )
logP (o/w) : 3.71
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) :1.90 (μg/capita/day)
modified Theoretical Added Maximum Daily Intake (mTAMDI) :2300 (μg/person/day)
Threshold of concern :1800 (μg/person/day)
Structure Class :I
 
recommendation for amyl 2-methyl butyrate 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) : 3.0000015.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0) : 2.0000010.00000
Edible ices, including sherbet and sorbet (03.0) : 3.0000015.00000
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) : --
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2) : 10.0000050.00000
Ready-to-eat savouries (15.0) : 20.00000100.00000
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-methylbutanoate
(EINECS) number :268-244-2
chemidplus :068039269
EPA Substance Registry Services :68039-26-9
references :
 
pentyl 2-methylbutanoate
fl. number :09.679
NIST Chemistry WebBook :1253021421
pubchem :684260
Flavornet :68039-26-9
other :
VCF-Online: VCF Volatile Compounds in Food
synonyms :
2-methyl butanoic acid pentyl ester
 pentyl 2-methyl butanoate
 pentyl 2-methyl butyrate
 pentyl 2-methylbutanoate
 pentyl methyl butyrate
Similar Products:    note
isoamyl 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
 methyl 2-methyl butyrate
 octyl 2-methyl butyrate
 propyl 2-methyl butyrate
isopropyl 2-methyl butyrate
 propylene glycol di-2-methyl butyrate
 propylene glycol mono-2-methyl butyrate
soluble in :
 alcohol
insoluble in :
 water
potential blenders :    note
 allyl heptanoateFL/FR
 allyl propionateFL/FR
 amyl isobutyrateFL/FR
 amyl isovalerateFL/FR
isoamyl valerateFL/FR
 apple ketalFL/FR
 benzyl isovalerateFL/FR
 benzyl propionateFL/FR
 butyl heptanoateFL/FR
 butyl isovalerateFL/FR
isobutyl isovalerateFL/FR
 cyclohexyl butyrateFL/FR
 cyclohexyl isovalerateFL/FR
(E)-alpha-damasconeFL/FR
(Z)-alpha-damasconeFL/FR
alpha-damasconeFL/FR
gamma-damasconeFR
3-decen-2-oneFL/FR
 diethyl 1-malateFL
 ethyl (E,Z)-2,4-decadienoateFL/FR
 ethyl 2-methyl butyrateFL/FR
 ethyl 3-methyl valerateFL/FR
 ethyl decanoateFL/FR
 ethyl isovalerateFL/FR
 ethyl methyl mercaptopropionateFL/FR
 ethyl valerateFL/FR
 fruity ketalFL/FR
 galbanum ketoneFR
 geranyl 2-methyl butyrateFL/FR
 geranyl isovalerateFL/FR
 heptyl 2-methyl butyrateFL
 hexanal diethyl acetalFL/FR
(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 2-methyl butyrateFL/FR
3-hexen-1-yl 2-methyl butyrateFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(E)-2-hexen-1-yl butyrateFL/FR
(Z)-3-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
 marine formateFR
 methyl butyrateFL
 methyl citronellateFL/FR
 methyl isovalerateFL/FR
 methyl valerateFL/FR
 nonyl isovalerateFL/FR
(E)-2-penten-1-alFL/FR
 pineapple heptadienone 10%FR
 propyl heptanoateFL/FR
isopropyl isobutyrateFL/FR
 propyl isovalerateFL/FR
isopropyl isovalerateFL/FR
 propyl tiglateFL/FR
potential uses :
 appleFR
 fruitFR
natural occurrence in :    note
data pagehyptis spicigera lam. oil mali @ trace-0.10% S


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