methyl para-anisate
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Notes :
Gives good body.
 
Right Click Jmol Molecule For More Options. (Safari 1.2 (v125) Compatible). Jmol is a free download found Here.
 
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 (IUPAC)
formula :C9 H10 O3
BioActivity Analysis :73224
pherobase floral:view
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :172.515
Suppliers :
Advanced Biotech :METHYL ANISATE
NATURAL
Inoue :METHYL ANISATE
Penta :methyl anisate
natural
Penta :methyl p-anisate
SAFC Global® :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 :
Category :flavor and fragrance agents
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 fragrance usage levels up to :
  3.0000 % in the fragrance concentrate.
recommendation for methyl para-anisate flavor 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 cas# 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
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
para-anisic acid methyl ester
4-methoxybenzoic acid methyl ester
para-methoxybenzoic acid methyl ester
 methyl 4-methoxybenzoate
 methyl anisate
 methyl para-methoxybenzoate
 methyl-4-methoxybenzoate
Similar Products:    note
 methyl 3-methoxybenzoate
 methyl 2-methoxybenzoate
 ethyl para-anisate
 hexyl para-anisate
soluble in :
 alcohol
 water, 643 mg/L 20C
insoluble in :
 water
potential blenders :    note
 acetanisoleFL/FR
 acetophenoneFL/FR
 acorn acetateFR
 amyl furoateFL/FR
(E)-anetholFL/FR
(Z)-anethole 
 angelica seed oilFL/FR
ortho-anisaldehydeFL/FR
para-anisaldehydeFL/FR
para-anisaldehyde / methyl anthranilate schiff's baseFR
para-anisaldehyde dimethyl acetalFL/FR
 anise indeneFR
 anise oilFL/FR
 anise oleoresinFL
 anise seed oilFL/FR
 anise seed oil starFL/FR
 anise seed oil star terpenelessFL/FR
 anisoleFL/FR
 anisonitrileFR
para-anisyl acetaldehydeFL/FR
para-anisyl alcoholFL/FR
para-anisyl methyl ketoneFL/FR
para-anisyl phenyl acetateFL/FR
para-anisyl propanalFR
 anisyl propanal / methyl anthranilate schiff's baseFR
 autumn carboxylateFR
 basil oilFL/FR
 benzyl methyl etherFL/FR
 berry hexanoateFR
 boronia absoluteFL/FR
2-butyl-3-methyl pyrazineFL
 cascarilla bark oilFL/FR
 champaca absoluteFR
 cinnamyl alcoholFL/FR
 clausena anisata hook. f. leaf oil 
para-cresyl caprylateFL/FR
 cyperus root oilFR
 dehydro-ar-ionene 
 diethyl succinateFL/FR
 dihydroanetholFL/FR
 earthy indaneFR
para-ethyl acetophenoneCS
4-ethyl anisoleFL
 ethyl ortho-anisateFL/FR
 ethyl para-anisateFL/FR
 ethyl sorbateFL/FR
 fennel absolute sweetFL/FR
 fennel flower oil bitter lithuania 
 fennel oleoresin sweetFL/FR
 fennel seed oilFL/FR
 fennel seed oil bitter lithuaniaCS
 floral nitrileFR
 geranyl benzoateFL/FR
 geranyl phenyl acetateFL/FR
 grapefruit acetalFR
 hawthorn acetateFR
 hawthorn carbinolFL/FR
 heliotropinFL/FR
 heliotropyl acetateFL/FR
 heliotropyl acetoneFL/FR
4'-hydroxyacetophenoneFL
 melon heptenalFL/FR
2'-methoxyacetophenoneFL/FR
 methyl acetophenoneFL/FR
para-methyl anisoleFL/FR
4-methyl biphenylFL
beta-naphthyl methyl etherFL/FR
 orris root resinoidFL/FR
 patchouli ethanoneFR
 phenethyl cinnamateFL/FR
 phenethyl salicylateFL/FR
(R)-2-phenyl propyl alcoholFL/FR
 powdery ketoneFL
 prenyl benzoateFL/FR
 propiophenoneFL/FR
 propyl 4-hydroxybenzoateFL/FR
isopropyl anthranilateFL/FR
 raspberry ketone methyl etherFL/FR
 sassafras acetateFR
 terpinyl benzoateFR
(E)-tiglic aldehydeFL/FR
 tricyclodecenyl isobutyrateFR
 tuberose absoluteFL/FR
 tuberose absolute concreteFL/FR
 tuberose acetateFR
 wallflower absoluteFR
potential uses :
 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 :    note
data pagecassie absolute @ 0.31% S
 cocoa S
 guava pineapple guava S
 mushroom  
data pageylang ylang oil @ 0.06% S

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