amyl angelate
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IUPAC name :pentyl (Z)-2-methylbut-2-enoate
InChI :InChI=1/C10H18O2/c1-4-6-7-8-12-10(11)9(3)5-2/h5H,4,6-8H2,1-3H3/b9-5-
InChIKey :XJWDRSSGOHXOLQ-UITAMQMPBZ
SMILES :CCCCCOC(=O)/C(=C\C)/C
cas number :7785-63-9
(EINECS) number :232-083-6
fl. number :09.680
molar refractivity :50.05 ± 0.3 cm3
parachor :438.1 ± 4.0 cm3
index of refraction :1.438 ± 0.02
surface tension :27.9 ± 3.0 dyne/cm
density :0.893 ± 0.06 g/cm3
polarizability :19.84 ± 0.5 10-24cm3
XlogP : 3.10
XlogP3-AA : 3.10
molecular weight : 170.2487200 (IUPAC)
formula :C10 H18 O2
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
Suppliers :
Nanjing :pentyl 2-methylisocrotonate
orders in chinese.
organoleptics :
odor type :floral
odor strength :medium
odor description:
at 100.00 %.  		floral fruity
properties :
appearence :colorless clear liquid
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.89100 to 0.89600 @ 25.00 °C.
pounds per gallon - calc. : 7.414 to 7.456
refractive index :1.43900 to 1.44500 @ 20.00 °C.
boiling point : 213.00 to 214.00 °C. @ 760.00 mm Hg
vapor pressure :0.15400 mm/Hg @ 25.00 °C.
flash point : 183.00  °F.  TCC  ( 83.89 °C. )
logP (o/w) : 3.99
safety :
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavoring agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :0.74 (μg/capita/day)
modified Theoretical Added Maximum Daily Intake (mTAMDI) :3900 (μg/person/day)
Threshold of concern :1800 (μg/person/day)
 
recommendation for amyl angelate fragrance usage levels up to :
 not for fragrance use.
 
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFFA, 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 (EFFA, 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) : 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
EPA Chem. Sub. Inventory : Yes
 
 
 
 
pentyl (Z)-2-methylbut-2-enoate
(EINECS) number :232-083-6
chemidplus :007785639
EPA Substance Registry Services :7785-63-9
references :
 
pentyl (Z)-2-methylbut-2-enoate
fl. number :09.680
NIST Chemistry WebBook :2317131660
pubchem :659153
other :
VCF-Online: VCF Volatile Compounds in Food
synonyms :
(Z)-2-methyl but-2-enoate
(Z)-2-methyl-2-butenoic acid pentyl ester
 pentyl (Z)-2-methylbut-2-enoate
 pentyl 2-methyl isocrotonate
 pentyl 2-methyl-2-butenoate
Similar Products:    note
isoamyl angelate
soluble in :
 alcohol
insoluble in :
 water
potential blenders :    note
 acetal 318FR
1-acetyl cyclohexyl acetateFL
isoamyl 3-(2-furan) propionateFL/FR
isoamyl angelateFL/FR
alpha-amyl cinnamaldehydeFL/FR
para-anisyl formateFL/FR
 benzaldehyde / methyl anthranilate schiff's baseFR
 benzyl acetateFL/FR
 benzyl acetoacetateFL/FR
 benzyl cinnamateFL/FR
 benzyl formateFL/FR
 berry hexanoateFR
isobutyl anthranilateFL/FR
isobutyl furyl propionateFL/FR
2-butyl thiopheneFL
 butyl undecylenateFL/FR
 chamomile isobutyrateFR
 chamomile propionateFR
 chamomile valerateFR
 cinnamyl formateFL/FR
 citronellyl butyrateFL/FR
 citronellyl hexanoateFL/FR
 citronellyl isobutyrateFL/FR
 citronellyl propionateFL/FR
(E)-citronellyl tiglateFL/FR
 clary propyl acetateFR
(E)-beta-damasconeFL/FR
(Z)-beta-damasconeFL/FR
beta-damasconeFL/FR
2-decalinyl acetateFR
2,4-difurfuryl furanFL
 dihydrojasmoneFL/FR
 dimethyl benzyl carbinyl acetateFL/FR
S-(2,5-dimethyl-3-furyl) ethane thioateFL
(E+Z)-4,8-dimethyl-3,7-nonadien-2-oneFL
 eriocephalus punctulatus oil 
 ethyl 2-furoateFL
 ethyl levulinateFL/FR
4-ethyl octanoic acidFL/FR
 geraniolFL/FR
2-heptanolFL/FR
 heptyl isobutyrateFL/FR
(Z)-3-hexen-1-yl isovalerateFL/FR
 hexoxyacetaldehyde dimethyl acetalFR
2-hexyl-4-acetoxytetrahydrofuranFL
 menthadienyl formateFR
3-mercaptohexyl acetateFL
 methoxymelonalFR
 methyl (Z)-3-hexenoateFL/FR
 methyl 4-phenyl butyrateFL
 methyl alpha-iononeFL/FR
 methyl benzyl acetate (mixed ortho-,meta-,para-)FL/FR
 methyl cyclogeranateFR
 methyl decanoateFL/FR
alpha-isomethyl ionone (90% min.)FL/FR
 methyl ionyl acetateFL/FR
 methyl isobutyrateFL/FR
(E)-7-methyl-3-octen-2-oneFL
3-nonanon-1-yl acetateFL/FR
 orris root concreteFL/FR
 phenethyl isobutyrateFL/FR
 phenethyl isovalerateFL/FR
1-phenyl propyl butyrateFL/FR
2-phenyl propyl isobutyrateFL/FR
4-phenyl-3-buten-2-olFL/FR
2-phenyl-4-pentenalFL
isopropyl benzoateFL/FR
 rhubarb pyranFR
 rose undeceneFR
 terpinyl valerateFL/FR
 tetrahydroionyl acetateFR
4-(para-tolyl)-2-butanoneFL/FR
 tropical iononeFL/FR
natural occurrence in :    note
data pagechamomile oil @ 0.07%  

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