para-anisyl propionate
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Notes :
Fixer and sweetener.
 
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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 - Alfrebro :ANISYL PROPIONATE
natural, Kosher
Inoue :ANISYL PROPIONATE
Penta :anisyl propionate
Sigma-Aldrich-SAFC :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 :¹
at 100.00 %.  
herbal fruity anisic cherry peach
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 :
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 usage levels up to :
  6.0000 % in the fragrance concentrate.
recommendation for para-anisyl propionate 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 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 :
reference : Luebke, William tgsc, (1984)¹
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
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

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) blends with :
isoamyl acetate
isoamyl benzoate
isoamyl butyrate
alpha-amyl cinnamaldehyde
isoamyl isovalerate
isoamyl salicylate
para-anisyl acetate
 benzoin resinoid
 benzyl acetate modifier
 benzyl cinnamate
 blood orange oil
 bois de rose oil
 cassia bark oil
 citral
 citronellyl acetate
 clove bud oil
 coriander seed oil
 dihydrojasmone
 dimethyl benzyl carbinyl butyrate
 ethyl cinnamate
 ethyl heptanoate
 ethyl laurate
 ethyl vanillin
 floral pyranol
 gardenia oxide
 geranyl acetate
 green acetate
 heliotropyl acetone
(Z)-3-hexen-1-yl acetate
 hexyl 2-methyl butyrate
alpha-hexyl cinnamaldehyde
 lavender absolute
laevo-linalool
 linalool oxide
 melon heptenal
 methyl dihydrojasmonate
 methyl ionones
 mimosa absolute
 nerolidol
 neryl acetate
 ocean propanal
 orris absolute
 osmanthus absolute
 petitgrain oil
 phenethyl propionate
 raspberry ketone acetate
 rose butanoate
 santall
 strawberry glycidate 1
 styralyl acetate
para-tolyl aldehyde
gamma-undecalactone
 vanillin
 violet leaf absolute
 watermelon ketone

(odor and/or flavor) used in :
 apple
 apricot
 ash mountain ash blossom
 cassie acacia farnesiana
 cherry
 fixer
 mimosa wattle
 peach
 quince
 reseda mignonette
 vanilla

natural occurrence in :
data pageanise seed oil colombia @ 1.06%



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