methyl para-anisate
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Notes :
Gives good body.
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :methyl 4-methoxybenzoate
InChI :InChI=1/C9H10O3/c1-11-8-5-3-7(4-6-8)9(10)12-2/h3-6H,1-2H3
InChIKey :DDIZAANNODHTRB-UHFFFAOYAF
SMILES :COC1=CC=C(C=C1)C(=O)OC
cas number :121-98-2
(EINECS) number :204-513-2
beilstein number :2208571
fema number :2679
coe number :248
jecfa number :884
fl. number :09.713
molar refractivity :44.70 ± 0.3 cm3
parachor :368.7 ± 4.0 cm3
index of refraction :1.502 ± 0.02
surface tension :35.2 ± 3.0 dyne/cm
density :1.098 ± 0.06 g/cm3
polarizability :17.72 ± 0.5 10-24cm3
XlogP : 1.90
molecular weight : 166.1739000
formula :C9 H10 O3
BioActivity Analysis :73224
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :172.515

Suppliers :
Inoue :METHYL ANISATE
Penta :methyl anisate
natural
Penta :methyl p-anisate
Sigma-Aldrich-SAFC :Methyl p-anisate
≥99%, Kosher
Odor:  anise; chocolate; creamy; melon; fruity; sweet; vanilla; spicy; woody

organoleptics :
odor type :anisic
odor strength :medium
odor description :
at 100.00 %.  
herbal anise sweet

properties :
appearence :white crystallin powder
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
melting point : 48.00 to 50.00 °C. @ 760.00 mm Hg
boiling point : 244.00 to 245.00 °C. @ 760.00 mm Hg
congealing point :47.50 °C.
acid value : 1.00  max.  KOH/g
flash point :> 230.00  °F.  TCC  ( > 110.00 °C. )
logP (o/w) : 2.27

safety :
most important hazard(s) :None - None found.
  S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
Human experience : 4 % solution: no irritation or sensitization.
Oral Toxicity(LD50) :
  Oral-Rat    >5000.00  mg/kg
(Levenstein, 1975k)

Dermal Toxicity(LD50) :
  Skin-Rabbit  >5000.00  mg/kg

Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
Maximised Survey-derived Daily Intakes (MSDI-EU) :0.97 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :0.01 (μg/capita/day)
 
recommendation for methyl para-anisate usage levels up to :
  3.0000 % in the fragrance concentrate.
recommendation for methyl para-anisate usage levels up to :
  8.0000 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
Env. Mutagen Info. Center :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :2
 
 
 
 methyl 4-methoxybenzoate
(EINECS) number :204-513-2
RTECS :BZ4925000 for 121-98-2
chemidplus :000121982
EPA Substance Registry Services :121-98-2
dtp/nci :7324

references :
 methyl 4-methoxybenzoate
fl. number :09.713
jecfa number :884
NIST Chemistry WebBook :2998177765
pubchem :151661

Cosmetics :
Cosmetic uses : perfuming agents

other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
synonyms :
para-anisic acid methyl ester
4-methoxybenzoic acid methyl ester
para-methoxybenzoic acid methyl ester
 methyl 4-methoxybenzoate
 methyl anisate
 methyl para-methoxybenzoate

soluble in :
 alcohol
 water, 643 mg/L 20C

insoluble in :
 water

(odor and/or flavor) blends with :
 acetanisole
 acetophenone
 acorn acetate
 amyl furoate
(E)-anethol
(Z)-anethole
 angelica seed oil
ortho-anisaldehyde
para-anisaldehyde
para-anisaldehyde / methyl anthranilate schiff's base
para-anisaldehyde dimethyl acetal
 anise indene
 anise oil
 anise oleoresin
 anise seed oil
 anise seed oil star
 anise seed oil star terpeneless
 anisole
 anisonitrile
para-anisyl acetaldehyde
para-anisyl alcohol
para-anisyl methyl ketone
para-anisyl phenyl acetate
para-anisyl propanal
 anisyl propanal / methyl anthranilate schiff's base
 autumn carboxylate
 basil oil
 benzyl methyl ether
 berry hexanoate
 boronia absolute
2-butyl-3-methyl pyrazine
 cascarilla bark oil
 champaca absolute
 cinnamyl alcohol
 clausena anisata hook. f. leaf oil
para-cresyl caprylate
 cyperus root oil
 dehydro-ar-ionene
 diethyl succinate
 dihydroanethol
 earthy indane
para-ethyl acetophenone
4-ethyl anisole
 ethyl ortho-anisate
 ethyl para-anisate
 ethyl sorbate
 fennel absolute sweet
 fennel flower oil bitter lithuania
 fennel oleoresin sweet
 fennel seed oil
 fennel seed oil bitter lithuania
 floral nitrile
 geranyl benzoate
 geranyl phenyl acetate
 grapefruit acetal
 hawthorn acetate
 hawthorn carbinol
 heliotropin
 heliotropyl acetate
 heliotropyl acetone
4'-hydroxyacetophenone
 melon heptenal
2'-methoxyacetophenone
 methyl acetophenone
para-methyl anisole
4-methyl biphenyl
beta-naphthyl methyl ether
 orris root resinoid
 patchouli ethanone
 phenethyl cinnamate
 phenethyl salicylate
(R)-2-phenyl propyl alcohol
 powdery ketone
 prenyl benzoate
 propiophenone
 propyl 4-hydroxybenzoate
isopropyl anthranilate
 raspberry ketone methyl ether
 sassafras acetate
 terpinyl benzoate
(E)-tiglic aldehyde
 tricyclodecenyl isobutyrate
 tuberose absolute
 tuberose absolute concrete
 tuberose acetate
 wallflower absolute

(odor and/or flavor) used in :
 chervil
 fennel
 fern fougere
 hawthorn
 hay new mown hay foin coupe
 heliotrope
 linden blossom limeflower tilleul
 magnolia
 melon watermelon muskmelon cantaloupe
 mimosa wattle
 mushroom
 pumpkin
 reseda mignonette
 spruce
 sweet pea pois de senteur

natural occurrence in :
data pagecassie absolute @ 0.31%
cocoa
guava
mushroom
data pageylang ylang oil @ 0.06%



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