Ethyl 4-dimethylaminobenzoate

1.Introduction of Ethyl 4-dimethylaminobenzoate

The Ethyl 4-dimethylaminobenzoate, with the CAS registry number 10287-53-3, is a kind of white crystal powder. It is also named as Parbenate ; Ethyl-4-(dimethylamino)benzolcarboxylat ; 4-(N,N-dimethylamino)benzoic acid ethyl ester and 4-Dimethylaminobenzoic acid ethyl ester . The product's categories are photo initiators, fine chemical & intermediates, aromatic esters, NLO chromophores and intermediates, non-linear optical (NLO) materials and photonic and optical materials.

The Benzoic acid,4-(dimethylamino)-, ethyl ester is insoluble in water. It is stable and incompatible with reducing agents, oxidizing agents, bases, acids. This product can be used as intermediates in organic synthesis and for chemical products, plastics, coatings, etc. It is also used in UV curable coatings and inks.

2.The Properties of Ethyl 4-dimethylaminobenzoate

 (1)ACD/LogP: 3.14 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): 3.14 ; (4)ACD/LogD (pH 7.4): 3.14 ; (5)ACD/BCF (pH 5.5): 144.3 ; (6)ACD/BCF (pH 7.4): 144.46 ; (7)ACD/KOC (pH 5.5): 1221.99 ; (8)ACD/KOC (pH 7.4): 1223.39 ; (9)#H bond acceptors: 3 ; (10)#H bond donors: 0 ; (11)#Freely Rotating Bonds: 4 ; (12)Index of Refraction: 1.539 ; (13)Molar Refractivity: 56.97 cm³ ; (14)Molar Volume: 181.8 cm³ ; (15)Polarizability: 22.58×10^-24 cm³ ; (16)Surface Tension: 38.8 dyne/cm ; (17)Enthalpy of Vaporization: 53.62 kJ/mol ; (18)Vapour Pressure: 0.00143 mmHg at 25°C ; (19)Rotatable Bond Count: 4 ; (20)Exact Mass: 193.110279 ; (21)MonoIsotopic Mass: 193.110279 ; (22)Topological Polar Surface Area: 29.5 ; (23)Heavy Atom Count: 14.

3.Structure descriptors of Ethyl 4-dimethylaminobenzoate

SMILES: O=C(OCC)c1ccc(N(C)C)cc1;

InChI: InChI=1/C11H15NO2/c1-4-14-11(13)9-5-7-10(8-6-9)12(2)3/h5-8H,4H2,1-3H3; 

InChIKey: FZUGPQWGEGAKET-UHFFFAOYAL

4.Safety information of Ethyl 4-dimethylaminobenzoate

In addition, it is toxic if swallowed. And it is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable gloves and eye/face protection.