amyl cinnamate
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IUPAC name :pentyl (Z)-3-phenylprop-2-enoate
InChI :InChI=1/C14H18O2/c1-2-3-7-12-16-14(15)11-10-13-8-5-4-6-9-13/h4-6,8-11H,2-3,7,12H2,1H3/b11-10-
InChIKey :QDRJCWZGTMRXCL-KHPPLWFEBL
SMILES :CCCCCOC(=O)\C=C/C1=CC=CC=C1
cas number :3487-99-8
(EINECS) number :222-478-1
coe number :328
fl. number :09.735
molar refractivity :67.08 ± 0.3 cm3
parachor :533.8 ± 4.0 cm3
index of refraction :1.532 ± 0.02
surface tension :37.0 ± 3.0 dyne/cm
density :1.008 ± 0.06 g/cm3
polarizability :26.59 ± 0.5 10-24cm3
XlogP : 4.10
XlogP3 : 4.40
molecular weight : 218.2915200 (IUPAC)
formula :C14 H18 O2
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
Suppliers :
Inoue :AMYL CINNAMATE
Nanjing :Pentyl cinnamate
orders in chinese.
Penta :N-amyl cinnamate
organoleptics :
odor type :balsamic
odor strength :medium
odor description:
at 100.00 %.  		balsam amber cocoa bean orchid labdanum
Luebke, William tgsc, (1985)
odor sample from :Elan Chemical, Inc.
substantivity :344  Hour(s)
properties :
appearence :colorless to pale yellow clear liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.99200 to 0.99800 @ 25.00 °C.
pounds per gallon - calc. : 8.254 to 8.304
refractive index :1.53800 to 1.54400 @ 20.00 °C.
boiling point : 312.00 to 314.00 °C. @ 760.00 mm Hg
vapor pressure :0.00087 mm/Hg @ 25.00 °C.
flash point :> 200.00  °F.  TCC  ( > 93.33 °C. )
logP (o/w) : 4.32
safety :
Oral Toxicity(LD50) : 
  Oral-Rat    >5000.00  mg/kg
(Moreno, 1974i)

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) :0.012 (μg/capita/day)
modified Theoretical Added Maximum Daily Intake (mTAMDI) :3900 (μg/person/day)
Threshold of concern :1800 (μg/person/day)
Structure Class :I
 
maximum skin levels for fine fragrances :
  0.1000 %   and are based on the assumption that the fragrance mixture is used at 20% in a consumer product (IFRA Use Level Survey).  (IFRA, 2001)
recommendation for amyl cinnamate fragrance usage levels up to :
  5.0000 % in the fragrance concentrate.
use level in formulae for use in cosmetics :
  0.5000 %
dermal systemic exposure in cosmetic products :
 0.0125 mg/kg/day  (IFRA, 2001)
 
 
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) : 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 (Z)-3-phenylprop-2-enoate
(EINECS) number :222-478-1
chemidplus :003487998
EPA Substance Registry Services :3487-99-8
references :
 
pentyl (Z)-3-phenylprop-2-enoate
fl. number :09.735
NIST Chemistry WebBook :3487998
pubchem :675076
Cosmetics :
Cosmetic uses : perfuming agents
other :
CosIng :cosmetic data
RIFM :listed
FMA :listed
synonyms :
 cinnamic acid pentyl ester
 pentyl (Z)-3-phenylprop-2-enoate
 pentyl 3-phenyl-2-propenoate
 pentyl cinnamate
3-phenyl-2-propenoic acid pentyl ester
Similar Products:    note
 allyl cinnamate
isoamyl cinnamate
 benzyl cinnamate
 butyl cinnamate
isobutyl cinnamate
 cinnamyl cinnamate
 citronellyl cinnamate
 cyclohexyl cinnamate
 ethyl alpha-acetyl cinnamate
 ethyl cinnamate
 heptyl cinnamate
(Z)-3-hexen-1-yl cinnamate
 hexyl cinnamate
 linalyl cinnamate
 methyl cinnamate
 octyl cinnamate
 phenethyl cinnamate
3-phenyl propyl cinnamate
 propyl cinnamate
isopropyl cinnamate
 terpinyl cinnamate
 tetrahydrofurfuryl cinnamate
soluble in :
 alcohol
 water, 7.167 mg/L @ 25C
insoluble in :
 water
potential blenders :    note
2-acetyl furanFL/FR
 ambreineFR
 ambroxanFL/FR
isoamyl cinnamateFL/FR
alpha-amyl cinnamyl alcoholFL/FR
 amyl phenyl acetateFL/FR
isoamyl phenyl acetateFL/FR
isoamyl salicylateFL/FR
 balsam ketoneFR
 butyl 2-methyl butyrateFL/FR
 butyl cinnamateFL/FR
isobutyl cinnamateFL/FR
isobutyl salicylateFL/FR
2-isobutyl-3,(5 and 6)-dimethyl pyrazineFL/FR
2(4)-isobutyl-4(2),6-dimethyl dihydro-4H-1,3,5-dithiazineFL
 butyraldehydeFL
 chocolate pyrazine AFL/FR
 chocolate pyrazine BFL
 cinnamyl acetateFL/FR
 cinnamyl alcoholFL/FR
 cinnamyl anthranilateFR
 cinnamyl benzoateFL/FR
 cinnamyl butyrateFL/FR
 cinnamyl cinnamateFL/FR
 cinnamyl hexanoateFL/FR
 cinnamyl isobutyrateFL/FR
 cinnamyl isovalerateFL/FR
 cinnamyl phenyl acetateFL/FR
 cinnamyl propionateFL/FR
 cinnamyl salicylate 
 cinnamyl tiglateFL/FR
 cinnamyl valerateFL/FR
 cistus absoluteFL/FR
 cistus cyclohexanoneFL/FR
 cocoa butenalFL/FR
 cocoa hexenalFL/FR
 cocoa oleoresinFL
 cocoa pentenalFL/FR
 cocoa propanalFL
3,6-cocoa pyrazineFL
 copaiba balsamFL/FR
2,5-dimethyl pyrazineFL/FR
2,6-dimethyl pyrazineFL/FR
2,6-dimethyl pyridineFL
4,5-dimethyl-2-ethyl thiazoleFL
2,4-dimethyl-5-vinyl thiazoleFL
2-ethyl butyraldehydeFL
 ethyl cinnamateFL/FR
2-ethyl hexyl salicylateFR
 ethyl phenyl acetateFL/FR
2-ethyl-4-butanolFL/FR
 fenugreek oleoresinFL
 fenugreek resinoidFL/FR
(Z)-3-hexen-1-yl cinnamateFR
 hexyl salicylateFL/FR
 juniper lactoneFL/FR
delta-juniper lactoneFL/FR
 labdanum ethanoneFR
 labdanum oilFL/FR
 linalyl cinnamateFL/FR
2-methoxypyrazineFL/FR
2-methyl butyraldehydeFL
 methyl ethoxypyrazineFL
 methyl furfuracrylateFL
2-methyl pyrazineFL/FR
 myrrh oilFL/FR
 octyl cinnamateFR
 peanut dithiazineFL
 peru balsam oilFL/FR
 peru balsam resinoidFL/FR
 phenethyl octanoateFL/FR
2-phenoxyethyl formateFR
 phenyl acetaldehydeFL/FR
 poplar bud oleoresinFL/FR
 propionaldehydeFL
isopropyl cinnamateFL/FR
isopropyl formateFL/FR
 sclareolideFL/FR
 tetrahydrofurfuryl cinnamateFL/FR
2,3,5,6-tetramethyl pyrazineFL
 tolu balsamFL/FR
2,3,5-trimethyl pyrazineFL
2,4,5-trimethyl thiazoleFL/FR
 valeraldehydeFL/FR
gamma-valerolactoneFL/FR
 vetiver oilFL/FR
 vinyl sulfurolFL
potential uses :
 amber
 balsam
 chocolate
 moss
 tonka
natural occurrence in :    note
 not found in nature  

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