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121-79-9

121-79-9 Structure

121-79-9 Structure
IdentificationMore
[Name]

Propyl gallate
[CAS]

121-79-9
[Synonyms]

3,4,5-TRIHYDROXYBENZENE-1-PROPYLCARBOXYLATE
3,4,5-TRIHYDROXYBENZOIC ACID N-PROPYL ESTER
3,4,5-TRIHYDROXYBENZOIC ACID PROPYL ESTER
FEMA 2947
FEMA 2974
GALLIC ACID N-PROPYL ESTER
GALLIC ACID PROPYL ESTER
N-PROPYL 3,4,5-TRIHYDROXYBENZOATE
N-PROPYL GALLATE
PROGALLIN P
PROPYL GALLATE
3,4,5-trihydroxy-benzoicacipropylester
Benzoicacid,3,4,5-trihydroxy-,propylester
NCI-C50588
nci-c505888
Nipa 49
nipa49
Nipagallin P
nipagallinp
n-Propyl ester of 3,4,5-trihydroxybenzoic acid
[EINECS(EC#)]

204-498-2
[Molecular Formula]

C10H12O5
[MDL Number]

MFCD00002196
[Molecular Weight]

212.2
[MOL File]

121-79-9.mol
Chemical PropertiesBack Directory
[Appearance]

white to light beige crystalline powder
[Melting point ]

146-149 °C(lit.)
[mp ]

146-149 °C(lit.)
[Boiling point ]

312.03°C (rough estimate)
[density ]

1.210
[refractive index ]

1.5140 (estimate)
[FEMA ]

2947
[Fp ]

187℃
[storage temp. ]

0-6°C
[solubility ]

ethanol: 50 mg/mL
[pka]

8.11(at 25℃)
[form ]

powder
[color ]

White to light beige
[Water Solubility ]

0.35 g/100 mL (25 ºC)
[Merck ]

14,7859
[Detection Methods]

HPLC,NMR
[BRN ]

1877976
[Contact allergens]

This gallate ester (E 311) is an antioxidant frequently used in the food, cosmetic, and pharmaceutical industries to prevent the oxidation of unsaturated fatty acids into rancid-smelling compounds. It causes cosmetic dermatitis mainly from lipsticks and induced contact dermatitis in a baker, and in a female confectioner, primarily sensitized by her night cream, who fried doughnuts the margarine probably containing gallates.
[InChIKey]

ZTHYODDOHIVTJV-UHFFFAOYSA-N
[Uses]

Propyl Gallate is an antioxidant that is the n-propylester of 3,4,5-tri- hydroxybenzoic acid. natural occurrence of propyl gallate has not been reported. it is commercially prepared by esterification of gallic acid with propyl alcohol followed by distillation to remove excess alcohol.
[Uses]

propyl gallate is an anti-oxidant with preservative properties.
[CAS DataBase Reference]

121-79-9(CAS DataBase Reference)
[NIST Chemistry Reference]

Benzoic acid, 3,4,5-trihydroxy-, propyl ester(121-79-9)
Hazard InformationBack Directory
[Chemical Properties]

white to light beige crystalline powder
[Uses]

Propyl Gallate is a known inhibitor of Tyrosinase, a polyphenol oxidase, which is an important enzyme in pigment biosynthesis in various organisms. It has also recently been seen to boost biodiesel li pid biosynthesis in cultures.
[Uses]

Antioxidant for cosmetics, foods, fats, oils, ethers, emulsions, waxes, transformer oils.
[General Description]

Fine white to creamy-white crystalline powder. Odorless or with a faint odor. Melting point 150°C. Insoluble in water. Slightly bitter taste.
[Reactivity Profile]

PROPYL GALLATE(121-79-9) can react with oxidizing agents. Incompatible with strong acids, strong bases and strong reducing agents. Darkens in the presence of iron and iron salts. Contact with metals should be avoided .
[Air & Water Reactions]

Insoluble in water.
[Hazard]

Use in foods restricted to 0.02% of fat con- tent.
[Fire Hazard]

This chemical is combustible.
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R22:Harmful if swallowed.
R43:May cause sensitization by skin contact.
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S24:Avoid contact with skin .
S37:Wear suitable gloves .
S36:Wear suitable protective clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[WGK Germany ]

2
[RTECS ]

LW8400000
[TSCA ]

Yes
[HS Code ]

29182950
[Safety Profile]

Poison by ingestion and intraperitoneal routes. Experimental teratogenic and reproductive effects. Questionable carcinogen with experimental tumorigenic data. Mutation data reported. Combustible when exposed to heat or flame; can react with oxidizing materials. When heated to decomposition it emits acrid smoke and irritating fumes.
[Hazardous Substances Data]

121-79-9(Hazardous Substances Data)
[Toxicity]

LD50 in mice, rats, hamsters, rabbits (g/kg): 1.70-3.50, 2.1-7, 2.48, 2.75 orally; LD50 i.p. in rats: 0.38 g/kg (J. Am. Coll. Toxicol.)
Raw materials And Preparation ProductsBack Directory
【Raw materials】

p-Toluenesulfonic acid-->PARA TOLUENE-->Tannic acid-->Ethyl gallate-->phenyl hydrogen sulfate-->ISOPROPANOL, FOR HPLC [SUBSTITUTED BY 34863 RIEDEL]
【Preparation Products】

Isobutyric acid-->1-propanesulfonic acid 3,3'-(hexadecylimino) bisdisodium salt-->Octyl gallate
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

3,4,5-Trihydroxybenzoic acid propyl ester(121-79-9).msds
Questions And AnswerBack Directory
[Description]

Propyl gallate (also known as propyl 3, 4, 5-trihydroxybenoate) is a kind of ester formed through the condensation of gallic acid and propanol. It appears as a fine white to creamy-white crystalline powder. It has long been used as a kind of antioxidants to be supplied to foods especially animal fats and vegetable oil, being especially effective with polyunsaturated fats. Propyl gallate, as an anti-oxidant, can protect the food and oils from the attack of hydrogen peroxide and oxygen free radicals, having an effect similar to the superoxide dismutase. It can also be applied to ethers, emulsion, waxes, and transformer oil as the antioxidants.
[References]

https://pubchem.ncbi.nlm.nih.gov/compound/propyl_gallate#section=Top
https://en.wikipedia.org/wiki/Propyl_gallate
http://www.hmdb.ca/metabolites/HMDB33835
Spectrum DetailBack Directory
[Spectrum Detail]

Propyl gallate(121-79-9) MS
Propyl gallate(121-79-9) IR1
Propyl gallate(121-79-9) IR2
Propyl gallate(121-79-9) 13C NMR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Propyl gallate, 98%(121-79-9)
[Alfa Aesar]

n-Propyl 3,4,5-trihydroxybenzoate, 98%(121-79-9)
[Sigma Aldrich]

121-79-9(sigmaaldrich)
[TCI AMERICA]

Propyl Gallate,>98.0%(T)(121-79-9)
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