CAS No.1166-52-5,Dodecyl gallate Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	1166-52-5
Name:	Dodecyl gallate
Article Data:	18

Formula:	C₁₉H₃₀O₅
Molecular Weight:	338.444
Synonyms:	Gallicacid, dodecyl ester (6CI,8CI);Dodecyl 3,4,5-trihydroxybenzoate;Dodecylgallate;E 312;Gallic acid lauryl ester;Lauryl 3,4,5-trihydroxybenzoate;Lauryl gallate;NSC 133463;Nipagallin LA;Progallin LA;benzoic acid, 3,4,5-trihydroxy-, dodecyl ester;dodecyl 3,4,5-trihydroxybenzoate;Gallic acid, dodecyl ester (8CI);Lauryl Gallate;n-Dodecyl gallate;
EINECS:	214-620-6
Density:	1.112 g/cm³
Melting Point:	94-97 °C(lit.)
Boiling Point:	521.7 °C at 760 mmHg
Flash Point:	180.3 °C
Solubility:	insoluble in water
Appearance:	white to cream powder
Hazard Symbols:	Xi
Risk Codes:	43
Safety:	24-37
PSA:	86.99000
LogP:	4.88110

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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

The Dodecyl gallate, with the CAS registry number 1166-52-5 and EINECS registry number 214-620-6, has the systematic name of dodecyl 3,4,5-trihydroxybenzoate. It is the ester of dodecanol and gallic acid, and the molecular formula is C₁₉H₃₀O₅. It is a kind of white to cream powder, and belongs to the product category of Aromatic Esters. It is an air sensitive chemcial, and should be stored at 0-6 °C.

The physical properties of Dodecyl gallate are as following: (1)ACD/LogP: 7.38; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.38; (4)ACD/LogD (pH 7.4): 7.24; (5)ACD/BCF (pH 5.5): 238775.5; (6)ACD/BCF (pH 7.4): 173417.66; (7)ACD/KOC (pH 5.5): 245779.61; (8)ACD/KOC (pH 7.4): 178504.59; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 16; (12)Polar Surface Area: 53.99 Å²; (13)Index of Refraction: 1.534; (14)Molar Refractivity: 94.63 cm³; (15)Molar Volume: 304.1 cm³; (16)Polarizability: 37.51×10^-24cm³; (17)Surface Tension: 46.6 dyne/cm; (18)Density: 1.112 g/cm³; (19)Flash Point: 180.3 °C; (20)Enthalpy of Vaporization: 82.5 kJ/mol; (21)Boiling Point: 521.7 °C at 760 mmHg; (22)Vapour Pressure: 1.67E-11 mmHg at 25°C.

Preparation and uses of Dodecyl gallate: It can be prepared by the esterification of laurinol and ellagic acid. And it is usually used as food additive, antioxidant and preservative.

You should be cautious while dealing with this chemical. It may cause sensitization by skin contact. Therefore, you had better take the following instructions: Avoid contact with skin, and wear suitable gloves.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCCCCCCCCCCCC)c1cc(O)c(O)c(O)c1
(2)InChI: InChI=1/C19H30O5/c1-2-3-4-5-6-7-8-9-10-11-12-24-19(23)15-13-16(20)18(22)17(21)14-15/h13-14,20-22H,2-12H2,1H3
(3)InChIKey: RPWFJAMTCNSJKK-UHFFFAOYAC

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
pig	LD50	oral	> 6gm/kg (6000mg/kg)	KIDNEY, URETER, AND BLADDER: OTHER CHANGES	Voeding. Vol. 16, Pg. 683, 1955.
rat	LD50	intraperitoneal	100mg/kg (100mg/kg)		FAO Nutrition Meetings Report Series. Vol. 38A, Pg. 22, 1965.
rat	LD50	oral	5gm/kg (5000mg/kg)	KIDNEY, URETER, AND BLADDER: OTHER CHANGES	Voeding. Vol. 16, Pg. 683, 1955.