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Benzoic acid,3,4,5-triethoxy-

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Name

Benzoic acid,3,4,5-triethoxy-

EINECS 230-192-3
CAS No. 6970-19-0 Density 1.137 g/cm3
PSA 64.99000 LogP 2.58090
Solubility N/A Melting Point 109-112 °C
Formula C13H18O5 Boiling Point 372.3 °C at 760 mmHg
Molecular Weight 254.283 Flash Point 135.7 °C
Transport Information N/A Appearance beige amorphous powder
Safety 24/25-37/39-26 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 6970-19-0 (3,4,5-TRIETHOXYBENZOIC ACID) Hazard Symbols IrritantXi
Synonyms

3,4,5-Triethoxybenzoicacid;NSC 66202;Benzoic acid, 3,4,5-triethoxy-;

Article Data 10

Benzoic acid,3,4,5-triethoxy- Specification

The Benzoic acid,3,4,5-triethoxy-, with the CAS registry number 6970-19-0 and EINECS registry number 230-192-3, has the systematic name of 3,4,5-triethoxybenzoic acid. It is a kind of beige amorphous powder, and belongs to the following product categories: Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts. And the molecular formula of the chemical is C13H18O5.

The characteristics of Benzoic acid,3,4,5-triethoxy- are as followings: (1)ACD/LogP: 3.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.27; (4)ACD/LogD (pH 7.4): 0.67; (5)ACD/BCF (pH 5.5): 15.82; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 112.36; (8)ACD/KOC (pH 7.4): 2.83; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 53.99 Å2; (13)Index of Refraction: 1.512; (14)Molar Refractivity: 67.11 cm3; (15)Molar Volume: 223.4 cm3; (16)Polarizability: 26.6×10-24cm3; (17)Surface Tension: 39 dyne/cm; (18)Density: 1.137 g/cm3; (19)Flash Point: 135.7 °C; (20)Enthalpy of Vaporization: 65.35 kJ/mol; (21)Boiling Point: 372.3 °C at 760 mmHg; (22)Vapour Pressure: 3.34E-06 mmHg at 25°C.

Uses of 4-Pyridinemethanamine,N-methyl-: It can be used to produce C26H34O9. This reaction will need menstruum ethanol. The reaction time is 1 hour with heating, and the yield is about 36%. 


 
You should be cautious while dealing with this chemical. It irritates to respiratory system and skin. Therefore, you had better take the following instructions: Avoid contact with skin and eyes; Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)c1cc(OCC)c(OCC)c(OCC)c1
(2)InChI: InChI=1/C13H18O5/c1-4-16-10-7-9(13(14)15)8-11(17-5-2)12(10)18-6-3/h7-8H,4-6H2,1-3H3,(H,14,15)
(3)InChIKey: YCENSLDYFDZUMO-UHFFFAOYAV

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