para-anisic acid
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IUPAC name :4-methoxybenzoic acid
InChI :InChI=1/C8H8O3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10)
InChIKey :ZEYHEAKUIGZSGI-UHFFFAOYAA
SMILES :COC1=CC=C(C=C1)C(=O)O
cas number :100-09-4
(EINECS) number :202-818-5
beilstein number :0508910
fema number :3945
coe number :10077
jecfa number :883
fl. number :08.071
molar refractivity :39.86 ± 0.3 cm3
parachor :326.0 ± 4.0 cm3
index of refraction :1.545 ± 0.02
surface tension :44.9 ± 3.0 dyne/cm
density :1.207 ± 0.06 g/cm3
polarizability :15.80 ± 0.5 10-24cm3
XlogP : 1.60
XlogP3 : 2.00
molecular weight : 152.1473200 (IUPAC)
formula :C8 H8 O3
BioActivity Analysis :73685
NMR Predictor :Predict
 
 
export tariff code :2915.13.0000
fda reg :unspecified

Suppliers :
Advanced Biotech :anisic acid
98% min. natural
Penta :p-anisic acid
Pfaltz & Bauer :p-Anisic Acid
98%
Sigma-Aldrich-SAFC :p-Anisic acid
≥99%
TCI AMERICA :p-Anisic Acid
>99.0%(GC)(T)

organoleptics :
odor type :animal
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description :
at 10.00 % in dipropylene glycol.  
faint putrid sweet cadaverous

properties :
appearence :white crystals
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
melting point : 183.00 to 186.00 °C. @ 760.00 mm Hg
boiling point : 275.00 to 280.00 °C. @ 760.00 mm Hg
vapor pressure :0.00150 mm/Hg @ 25.00 °C.
flash point : 365.00  °F.  TCC  ( 185.00 °C. )
logP (o/w) : 1.96
shelf life : 36.00 month(s) or longer if stored properly.
storage :store in cool, dry place in tightly sealed containers, protected from heat and light.

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) :
  Not determined
Dermal Toxicity(LD50) :
  Subcutaneous-Mouse  400.00  mg/kg
Cesko-Slovenska Farmacie. Vol. 31, Pg. 236, 1982.

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) :0.10 (μg/capita/day)
 
recommendation for para-anisic acid usage levels up to :
 not for fragrance use.

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
Cancer Citations :Search
Toxicology Citations :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :1
 
 
 
 4-methoxybenzoic acid
(EINECS) number :202-818-5
RTECS :BZ4395000 for 100-09-4
chemidplus :000100094
EPA Substance Registry Services :100-09-4
dtp/nci :7926

references :
 4-methoxybenzoic acid
fl. number :08.071
jecfa number :883
NIST Chemistry WebBook :100094
pubchem :150551

Cosmetics :
Cosmetic uses : masking agents

other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
4-anisic acid
 draconic acid
4-methoxybenzoic acid
para-methoxybenzoic acid

soluble in :
 alcohol
 ether
 water, 530 mg/L @ 37C

insoluble in :
 water, hot

(odor and/or flavor) blends with :
S-(methyl thio) butyrate
 valeric acid

(odor and/or flavor) used in :
 animal
 fixer

natural occurrence in :
anise oils
castoreum
vanilla beans



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