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
(EINECS) number :232-083-6
cas number :7785-63-9
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
molecular weight : 170.2487200
formula :C10 H18 O2
 
 
export tariff code :unspecified
fda reg :unspecified
 
 

organoleptics :
odor type :floral
odor strength :medium
odor description :
at 100.00 %.  
floral fruity

properties :
appearence :colorless clear liquid
assay : 95.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.89100 - 0.89600 @ 25.00 °C.
pounds per gallon - calc. : 7.414 to 7.456
refractive index :1.43900 - 1.44500 @ 20.00 °C.
boiling point : 213.00 - 214.00 °C. @ 760.00 mm Hg
logp : 3.99

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
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)
  
flash point ( Deg. F. ) : 183.00  °F.  TCC  ( 83.89 °C. )
  
recommendation for amyl angelate 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.
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 links :
(EINECS) number :232-083-6
chemidplus :007785639
epa-srs :7785-63-9
  
EPI System :Click here

other :
 

references :
fl. number :09.680
pubchem :659153
NIST Chemistry WebBook :2317131660
  
synonyms :
 amyl angelate
(Z)-2-methyl but-2-enoate
(Z)-2-methyl-2-butenoic acid pentyl ester
 pentyl 2-methyl isocrotonate
 pentyl 2-methyl-2-butenoate
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) blends with :
 acetal 318
1-acetyl cyclohexyl acetate
isoamyl 3-(2-furan) propionate
isoamyl angelate
alpha-amyl cinnamaldehyde
para-anisyl formate
 benzaldehyde / methyl anthranilate schiff's base
 benzyl acetate
 benzyl acetoacetate
 benzyl cinnamate
 benzyl formate
 berry hexanoate
isobutyl anthranilate
isobutyl furyl propionate
2-butyl thiophene
 butyl undecylenate
 chamomile isobutyrate
 chamomile propionate
 chamomile valerate
 cinnamyl formate
 citronellyl butyrate
 citronellyl hexanoate
 citronellyl isobutyrate
 citronellyl propionate
(E)-citronellyl tiglate
 clary propyl acetate
(E)-beta-damascone
(Z)-beta-damascone
beta-damascone
2-decalinyl acetate
2,4-difurfuryl furan
 dihydrojasmone
 dimethyl benzyl carbinyl acetate
S-(2,5-dimethyl-3-furyl) ethane thioate
(E+Z)-4,8-dimethyl-3,7-nonadien-2-one
 eriocephalus punctulatus oil
 ethyl 2-furoate
 ethyl levulinate
4-ethyl octanoic acid
 geraniol
2-heptanol
 heptyl isobutyrate
(Z)-3-hexen-1-yl isovalerate
 hexoxyacetaldehyde dimethyl acetal
2-hexyl-4-acetoxytetrahydrofuran
 menthadienyl formate
3-mercaptohexyl acetate
 methoxymelonal
 methyl (Z)-3-hexenoate
 methyl 4-phenyl butyrate
 methyl alpha-ionone
 methyl benzyl acetate (mixed ortho-,meta-,para-)
 methyl cyclogeranate
 methyl decanoate
alpha-isomethyl ionone (90% min.)
 methyl ionyl acetate
 methyl isobutyrate
(E)-7-methyl-3-octen-2-one
3-nonanon-1-yl acetate
 orris root concrete
 phenethyl isobutyrate
 phenethyl isovalerate
1-phenyl propyl butyrate
2-phenyl propyl isobutyrate
4-phenyl-3-buten-2-ol
2-phenyl-4-pentenal
isopropyl benzoate
 rhubarb pyran
 rose undecene
 terpinyl valerate
 tetrahydroionyl acetate
4-(para-tolyl)-2-butanone
 tropical ionone
natural occurrence in :
data pagechamomile oil @ 0.07%



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