Basic information
- Name:
Propyl gallate
- CAS No.:
121-79-9
- Molecular Structure:
- Formula:
- C10H12O5
- Molecular Weight:
- 212.20
- Deleted CAS:
- 56274-95-4
- Synonyms:
- Tenox PG;Nipagallin P;Benzoic acid,3,4,5-trihydroxy-,esters,propyl ester;n-Propyl 3,4,5-trihydroxybenzoate;3,4, 5-Trihydroxybenzoic acid, propyl ester;Benzoic acid, 3,4, 5-trihydroxy-, propyl ester;Progallin P;Propyl 3,4,5-trihydroxybenzoate;n-Propyl ester of 3,4,5-trihydroxybenzoic acid;Nipa 49;Nipanox S 1;Gallic acid, propyl ester;3,4,5-Trihydroxybenzene-1-propylcarboxylate;n-Propyl gallate;Propyl Gallate BP/EP;Propyl Gallate (Tech.);propyl gallate;propyl 3,4,5-trihydroxybenzoate;
- EINECS:
- 204-498-2
- Density:
- 1.363 g/cm3
- Melting Point:
- 146-149 °C(lit.)
- Boiling Point:
- 448.6 °C at 760 mmHg
- Flash Point:
- 181.3 °C
- Solubility:
- ethanol: 50 mg/mL
- Appearance:
- white to light beige crystalline powder
- Hazard Symbols:
Xn- Risk Codes:
- 22-43
- Safety Description:
- 24-37 Details
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Chemistry
Molecular Structure of Propyl gallate (CAS NO.121-79-9):
IUPAC Name: propyl 3,4,5-trihydroxybenzoate
Molecular Formula: C10H12O5
Formula Weight: 212.2
H bond acceptors: 5
H bond donors: 3
Freely Rotating Bonds: 7
Polar Surface Area: 53.99Å2
Index of Refraction: 1.595
Molar Refractivity: 52.93 cm3
Molar Volume: 155.6 cm3
Surface Tension: 62 dyne/cm
Density: 1.363 g/cm3
Flash Point: 181.3 °C
Enthalpy of Vaporization: 73.43 kJ/mol
Boiling Point: 448.6 °C at 760 mmHg
Vapour Pressure: 1.16E-08 mmHg at 25°C
Melting point: 146-149 °C(lit.)
Storage temp: 0-6°C
Solubility: ethanol: 50 mg/mL
Form: powder
Water Solubility: 0.35 g/100 mL (25 oC)
InChI
InChI=1/C10H12O5/c1-2-3-15-10(14)6-4-7(11)9(13)8(12)5-6/h4-5,11-13H,2-3H2,1H3
Smiles
c1(cc(c(O)c(c1)O)O)C(OCCC)=O
Toxicity Data With Reference
| 1. | mmo-sat 200 µg/plate | SYSWAE Shiyan Shengwa Xuebao. Journal of Experimental Biology. (Guozi Shudian, China Publications Center, P.O. Box 399, Peking, Peoples Republic of China) V.1- 1953- 12 (1979),41. | ||
| 2. | cyt-ham:fbr 40 mg/L | ESKHA5 Eisei Shikenjo Hokoku. Bulletin of the National Hygiene Sciences. 96 (1978),55. | ||
| 3. | orl-rat LD50:2100 mg/kg | NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) PB245-441 . | ||
| 4. | ipr-rat LD50:380 mg/kg | FOTEAO Food Technology. 2 (1948),308. | ||
| 5. | orl-mus LD50:1700 mg/kg | JAOCA7 Journal of the American Oil Chemists Society. 54 (1977),239. | ||
| 6. | orl-cat LD50:400 mg/kg | 14CYAT Industrial Hygiene and Toxicology. 2 (1963),1897. |
Consensus Reports
NTP Carcinogenesis Bioassay (feed); No Evidence: mouse, rat NTPTR* National Toxicology Program Technical Report Series. (Research Triangle Park, NC 27709) No. NTP-TR-240 ,1982. . Reported in EPA TSCA Inventory.
Safety Profile
Hazard Codes: 
Xn
Risk Statements: 22-43-36/37/38 (Harmful if swallowed; May cause sensitization by skin contact; Irritating to the eyes; Irritating to the respiratory system; Irritating to the skin)
Safety Statements: 24-37-36-26 (Avoid contact with skin; Wear suitable gloves; Wear suitable protective clothing; In case of contact with eyes, rinse immediately with plenty of water and seek medical advice)
WGK Germany: 2
RTECS: LW8400000
HS Code: 29182950
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.
Specification
Propyl gallate , with CAS number of 121-79-9, can be called 3,4,5-Trihydroxybenzene-1-propylcarboxylate ; Propyl Gallate BP/EP ; propyl gallate;propyl 3,4,5-trihydroxybenzoate ; n-Propyl ester of 3,4,5-trihydroxybenzoic acid ; Benzoic acid, 3,4, 5-trihydroxy-, propyl ester ; 3,4, 5-Trihydroxybenzoic acid, propyl ester . It is a white to light beige crystalline powder. Propyl gallate (CAS NO.121-79-9) is used as a triplet quencher in fluorescence microscopy. It is used as food and feed additives, and in foods, cosmetics, hair products, adhesives, and lubricants. n-PROPYL GALLATE is used to protect oils and fats in products from oxidation.