para-vanillic acid

4-hydroxy-3-methoxybenzoic acid

CAS: 121-34-6 C8 H8 O4 MW: 168.14856000 creamy creamy

Identification

Namepara-vanillic acid
IUPAC4-hydroxy-3-methoxybenzoic acid
CAS Number121-34-6
EINECS204-466-8
FDA UNIIGM8Q3JM2Y8
Molecular FormulaC8 H8 O4
Molecular Weight168.14856000
MDL NumberMFCD00002551
Nikkaji NumberJ5.337F
Beilstein2208364
CoE Number697
XlogP31.40 (est)

Regulatory

JECFA Food Flavoring959 4-hydroxy-3-methoxy benzoic acid
DG SANTE Food Flavourings08.043 vanillic acid
FEMA Number3988
FDANo longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF)121-34-6 ; VANILLIC ACID

Physical Properties

Appearance white to beige powder (est)
Assay 98.00 to 100.00
Food Chemicals Codex Listed No
Melting Point 210.00 to 213.00 °C. @ 760.00 mm Hg
Boiling Point 353.43 °C. @ 760.00 mm Hg (est)
Vapor Pressure 0.000020 mmHg @ 25.00 °C.
Flash Point > 212.00 °F. TCC ( > 100.00 °C. )
logP (o/w) 1.430
Soluble in alcohol, 5% slightly hazy
Insoluble in water

Organoleptic Properties

Odor Description
at 100.00 %.
Sweet creamy, phenolic, brown and powdery with vanilla beany nuances
Odor sample from Sigma-Aldrich
Taste Description
creamy milky custard vanilla powdery
at 30.00 ppm.

Safety Information

Preferred SDSView
European informationMost important hazard(s):
Oral/Parenteral Toxicityintraperitoneal-rat LD50 5020 mg/kg
Dermal ToxicityNot determined
Inhalation ToxicityNot determined

GHS Classification

['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']

Safety in Use

Categoryflavor and fragrance agents
RIFM Fragrance Material Safety AssessmentSearch
Recommendation for para-vanillic acid usage levels up to0.5000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU)24.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA)26.00 (μg/capita/day)
Structure ClassI
baked goods-
beverages(nonalcoholic)-
beverages(alcoholic)5.00000
breakfast cereal-
cheese-
chewing gum-
condiments / relishes-
confectionery froastings5.00000
egg products-
fats / oils-
fish products-
frozen dairy5.00000
fruit ices-
gelatins / puddings-
granulated sugar-
gravies-
hard candy-
imitation dairy-
instant coffee / tea-
jams / jellies-
meat products-
milk products3.00000
nut products-
other grains-
poultry-
processed fruits-
processed vegetables-
reconstituted vegetables-
seasonings / flavors-
snack foods-
soft candy-
soups-
sugar substitutes-
sweet sauces-

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Sigma-Aldrich

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Potential Uses

FL chocolate cocoa FR coconut FR cream FL milk FL nut FR vanilla FL whiskey

Natural Occurrence

apricot fruit arrowroot leaf banana plant barley fruit barley seed beer PMC beet leaf bilberry fruit bilberry fruit juice bilberry leaf blueberry plant brandy PMC broccoli asparagus broccoli plant buckwheat testa cacao bean cardamom leaf carrot tissue culture chamomile sweet false chamomile plant cherry sour cherry plant chicory chicory leaf coconut leaf coriander fruit coriander plant coriander seed corn corn sprout corn tissue culture dandelion flower fennel seed fig wood garlic bulb ginger ginger plant ginkgo biloba leaf ginkgo biloba plant goosefoot fruit grape grape hull husk grape leaf guava fruit horseradish root oat seed olive fruit onion bulb oregano plant pea root pea seed peanut seed poppy opium poppy pericarp raspberry red raspberry plant rhubarb plant rice rice plant rubus spectabilis leaf rum PMC saffron sage sage plant salmonberry leaf sesame leaf sherry PMC soybean root soybean seed tarragon leaf thyme plant turmeric leaf vanilla walnut black walnut nut wheat seed whiskey scotch whiskey wine red wine wine white wine

Synonyms

acid, p-hydroxy-m-methoxy-benzoic m- anisic acid, 4-hydroxy- benzoic acid, 4-hydroxy-3-methoxy- 4- hydroxy-3-methoxy benzoic acid 4- hydroxy-3-methoxy-benzoic acid 4- hydroxy-3-methoxybenzoate 4- hydroxy-3-methoxybenzoic acid 4- hydroxy-m-anisic acid p- hydroxy-m-methoxy-benzoic acid p- hydroxy-m-methoxy-benzonic acid 4- hydroxy-meta-anisic acid 3- methoxy-4-hydroxybenzoic acid protocatechuic acid 3-methyl ester vanillic acid p- vanillic acid vanillic acid, tech. grade vanillicacid J-Stage: Antioxidative Properties of Vanillic Acid Esters in Multiple Antioxidant Assays