Propylgallate , 10mMinDMSO , 121-79-9

Synonym(s):
3,4,5-Trihydroxybenzoic acid propyl ester;PG;Propyl 3,4,5-trihydroxybenzoate;Propyl gallate, Gallic acid propyl ester, 3,4,5-Trihydroxybenzoic acid propyl ester

CAS NO.：121-79-9

Empirical Formula: C10H12O5

Molecular Weight: 212.2

MDL number: MFCD00002196

EINECS: 204-498-2

PRODUCT Properties

• Melting point: 146-149 °C(lit.)
• Boiling point: 312.03°C (rough estimate)
• Density: 1.210
• vapor pressure: 0Pa at 20℃
• refractive index: 1.5140 (estimate)
• FEMA: 2947 | PROPYL GALLATE
• Flash point: 187℃
• storage temp.: Store below +30°C.
• solubility: ethanol: 50 mg/mL
• form: powder
• pka: 8.11(at 25℃)
• color: White to light beige
• Odor: bland
• biological source: synthetic
• Water Solubility: 0.35 g/100 mL (25 ºC)
• Merck: 14,7859
• BRN: 1877976
• Major Application: diagnostic assay manufacturing; hematology; histology
• Cosmetics Ingredients Functions: PERFUMING; ANTIOXIDANT
• InChI: 1S/C10H12O5/c1-2-3-15-10(14)6-4-7(11)9(13)8(12)5-6/h4-5,11-13H,2-3H2,1H3
• InChIKey: ZTHYODDOHIVTJV-UHFFFAOYSA-N
• SMILES: CCCOC(=O)c1cc(O)c(O)c(O)c1 || CCCOC(=O)c1cc(O)c(O)c(O)c1
• LogP: 1.8
• CAS DataBase Reference: 121-79-9(CAS DataBase Reference)
• NIST Chemistry Reference: Benzoic acid, 3,4,5-trihydroxy-, propyl ester(121-79-9)
• EPA Substance Registry System: Propyl gallate (121-79-9)

Description and Uses

It caused contact dermatitis in a baker and in a female confectioner who fried doughnuts, primarily sensitized by her night cream; the margarine probably contained gallates.

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.

Safety

• Symbol(GHS): GHS05,GHS07,GHS09
• Signal word: Danger
• Hazard statements: H302-H317-H318-H410
• Precautionary statements: P261-P273-P280-P301+P312-P302+P352-P305+P351+P338
• PPE: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
• Hazard Codes: Xn
• Risk Statements: 22-43-36/37/38
• Safety Statements: 24-37-36-26
• WGK Germany: 2
• RTECS: LW8400000
• TSCA: TSCA listed
• HS Code: 29182950
• Storage Class: 13 - Non Combustible Solids
• Hazard Classifications: Acute Tox. 4 Oral; Aquatic Acute 1; Aquatic Chronic 1; Eye Dam. 1; Skin Sens. 1
• 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.)