para-anisyl propionate
Suppliers  organoleptics  properties  safety  references  cosmetics    FEMA Index    Home Page
Notes :
Fixer and sweetener.
 
Right Click Jmol Molecule For More Options. (Safari 1.2 (v125) Compatible). Jmol is a free download found Here.
 
IUPAC name :(4-methoxyphenyl)methyl propanoate
InChI :InChI=1/C11H14O3/c1-3-11(12)14-8-9-4-6-10(13-2)7-5-9/h4-7H,3,8H2,1-2H3
InChIKey :YWIJRJQYADFRTL-UHFFFAOYAV
SMILES :CCC(=O)OCC1=CC=C(C=C1)OC
cas number :7549-33-9
(EINECS) number :231-433-5
fema number :2102
coe number :426
jecfa number :874
fl. number :09.145
molar refractivity :53.52 ± 0.3 cm3
parachor :444.8 ± 4.0 cm3
index of refraction :1.497 ± 0.02
surface tension :35.1 ± 3.0 dyne/cm
density :1.062 ± 0.06 g/cm3
polarizability :21.21 ± 0.5 10-24cm3
XlogP : 2.10
XlogP3 : 2.70
molecular weight : 194.2270600 (IUPAC)
formula :C11 H14 O3
NMR Predictor :Predict
 
 
export tariff code :2915.50.3000
fda reg :172.515
Suppliers :
Cargill :ANISYL PROPIONATE
natural, Kosher
Odor:  Fruity, Floral, Vanilla
Inoue :ANISYL PROPIONATE
Penta :anisyl propionate
SAFC Global® :Anisyl propionate
≥98%, Kosher
Odor:  floral; fruity; vanilla
Vigon :Anisyl Propionate
Odor:  SWEET FRUITY, FLORAL AND SOMEWHAT VANILLA-LIKE
organoleptics :
odor type :fruity
odor strength :medium
odor description:
at 100.00 %.  		herbal fruity anisic cherry peach
Luebke, William tgsc, (1984)
odor sample from :Nickstadt Moeller, Inc.
properties :
appearence :pale yellow clear liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.05300 to 1.07400 @ 25.00 °C.
pounds per gallon - calc. : 8.762 to 8.937
refractive index :1.50000 to 1.50900 @ 20.00 °C.
boiling point : 277.00 °C. @ 760.00 mm Hg
boiling point : 100.00 to 103.00 °C. @ 0.50 mm Hg
acid value : 1.00  max.  KOH/g
flash point :> 230.00  °F.  TCC  ( > 110.00 °C. )
logP (o/w) : 2.38
safety :
most important hazard(s) :Xi - Irritant
  R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
Oral Toxicity(LD50) : 
  Oral-Rat    3330.00  mg/kg
(Wohl, 1974d)

Dermal Toxicity(LD50) : 
  Skin-Rabbit  >5000.00  mg/kg
Food and Cosmetics Toxicology. Vol. 13, Pg. 717, 1975.

Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavor and fragrance agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :ND (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :5.00 (μg/capita/day)
 
recommendation for para-anisyl propionate fragrance usage levels up to :
  6.0000 % in the fragrance concentrate.
recommendation for para-anisyl propionate flavor usage levels up to :
  20.0000 ppm in the flavor.
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
 
WGK Germany :2
 
 
 
 
(4-methoxyphenyl)methyl propanoate
(EINECS) number :231-433-5
RTECS :DA4934015 for cas# 7549-33-9
chemidplus :007549339
EPA Substance Registry Services :7549-33-9
dtp/nci :46113
references :
 
(4-methoxyphenyl)methyl propanoate
fl. number :09.145
jecfa number :874
NIST Chemistry WebBook :1244006827
pubchem :197675
Cosmetics :
Cosmetic uses : perfuming agents
other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
RIFM :listed
FMA :listed
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
4-methoxybenzene methanol propanoate
para-methoxybenzyl alcohol propionate
4-methoxybenzyl propanoate
para-methoxybenzyl propionate
(4-methoxyphenyl)methyl propanoate
 propionic acid para-methoxybenzyl ester
Similar Products:    note
 allyl propionate
 allyl thiopropionate
 amyl propionate
isoamyl propionate
 benzyl propionate
 bornyl propionate
isobornyl propionate
 butyl propionate
isobutyl propionate
tert-butyl propionate
 carvyl propionate
 cinnamyl propionate
 citronellyl propionate
para-cresyl propionate
 cyclohexyl propionate
 cyclotene propionate
 decyl propionate
 dewy propionate
 dicyclopentadiene propionate
 dimethyl benzyl carbinyl propionate
 dodecyl propionate
 ethyl propionate
 eugenyl propionate
 furfuryl propionate
 furfuryl thiopropionate
 geranyl propionate
 guaiacyl propionate
 heptyl propionate
(E)-2-hexen-1-yl propionate
(Z)-3-hexen-1-yl propionate
 hexyl propionate
 linalyl propionate
 maltyl propionate
 menthyl propionate
laevo-menthyl propionate
2-methyl butyl propionate
 methyl propionate
 nerolidyl propionate
 neryl propionate
 nonisyl propionate
 nonyl propionate
(Z)-3-octen-1-yl propionate
(Z)-5-octen-1-yl propionate
 octyl propionate
 phenethyl propionate
 phenoxyethyl propionate
3-phenyl propyl propionate
 propyl propionate
isopropyl propionate
 rhodinyl propionate
 sorbyl propionate
 styralyl propionate
 sulfuryl propionate
 terpinyl propionate
 tetrahydrofurfuryl propionate
 tricyclodecenyl propionate
soluble in :
 alcohol
insoluble in :
 water
potential blenders :    note
isoamyl acetateFL/FR
isoamyl benzoateFL/FR
isoamyl butyrateFL/FR
alpha-amyl cinnamaldehydeFL/FR
isoamyl isovalerateFL/FR
isoamyl salicylateFL/FR
para-anisyl acetateFL/FR
 benzoin resinoidFL/FR
 benzyl acetate modifierFL/FR
 benzyl cinnamateFL/FR
 blood orange oilFL/FR
 bois de rose oilFL/FR
 cassia bark oilFL/FR
 citralFL/FR
 citronellyl acetateFL/FR
 clove bud oilFL/FR
 coriander seed oilFL/FR
 dihydrojasmoneFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
 ethyl cinnamateFL/FR
 ethyl heptanoateFL/FR
 ethyl laurateFL/FR
 ethyl vanillinFL/FR
 floral pyranolFR
 gardenia oxideFR
 geranyl acetateFL/FR
 green acetateFR
 heliotropyl acetoneFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
 hexyl 2-methyl butyrateFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 lavender absoluteFL/FR
laevo-linaloolFL/FR
 linalool oxideFL/FR
 melon heptenalFL/FR
 methyl dihydrojasmonateFL/FR
 methyl ionones 
 mimosa absoluteFL/FR
 nerolidolFL/FR
 neryl acetateFL/FR
 ocean propanalFL/FR
 orris absoluteFL/FR
 osmanthus absoluteFL/FR
 petitgrain oilFL/FR
 phenethyl propionateFL/FR
 raspberry ketone acetateFL/FR
 rose butanoateFL/FR
 santallFR
 strawberry glycidate 1FL/FR
 styralyl acetateFL/FR
para-tolyl aldehydeFL/FR
gamma-undecalactoneFL/FR
 vanillinFL/FR
 violet leaf absoluteFL/FR
 watermelon ketoneFR
potential uses :
 apple
 apricot
 ash mountain ash blossom
 cassie acacia farnesiana
 cherry
 fixer
 mimosa wattle
 peach
 quince
 reseda mignonette
 vanilla
natural occurrence in :    note
data pageanise seed oil colombia @ 1.06% S

information only - not sold by The Good Scents Company.


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 03/10/2010