CAS No.73469-54-2,4-TERT-BUTYL-2-ETHOXY-BENZOIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	73469-54-2
Name:	4-TERT-BUTYL-2-ETHOXY-BENZOIC ACID
Article Data:	4

Formula:	C₁₃H₁₆O₃
Molecular Weight:	208.257
Synonyms:	2-Methoxy-5-tert-butylbenzoic acid;5-tert-Butyl-2-methoxybenzoic acid;
EINECS:	-0
Density:	1.08 g/cm³
Melting Point:	74-76 °C
Boiling Point:	321.7 °C at 760 mmHg
Flash Point:	119.1 °C
Appearance:	Light white powder
Hazard Symbols:	R36/37/38:Irritating to eyes, respiratory system and skin.;
Risk Codes:	36/37/38
Safety:	26-36
PSA:	46.53000
LogP:	2.69090

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Specification

The Benzoic acid,5-(1,1-dimethylethyl)-2-methoxy-, with the CAS registry number 73469-54-2, is also known as 2-Methoxy-5-tert-butylbenzoic acid. This chemical's molecular formula is C₁₃H₁₆O₃ and molecular weight is 222.28. What's more, its systematic name is 5-tert-Butyl-2-methoxybenzoic acid. The product should be sealed and stored in containers which are placed in cool and dry places. It should be protected from oxidizers.

Physical properties of Benzoic acid,5-(1,1-dimethylethyl)-2-methoxy- are: (1)ACD/LogP: 3.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.86; (4)ACD/LogD (pH 7.4): 0.31; (5)ACD/BCF (pH 5.5): 7.35; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 61.07; (8)ACD/KOC (pH 7.4): 1.7; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.516; (14)Molar Refractivity: 58.24 cm³; (15)Molar Volume: 192.6 cm³; (16)Polarizability: 23.09×10^-24cm³; (17)Surface Tension: 36.6 dyne/cm; (18)Density: 1.08 g/cm³; (19)Flash Point: 119.1 °C; (20)Enthalpy of Vaporization: 59.49 kJ/mol; (21)Boiling Point: 321.7 °C at 760 mmHg; (22)Vapour Pressure: 0.000121 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCOC1=C(C=CC(=C1)C(C)(C)C)C(=O)O
(2)InChI: InChI=1S/C13H18O3/c1-5-16-11-8-9(13(2,3)4)6-7-10(11)12(14)15/h6-8H,5H2,1-4H3,(H,14,15)
(3)InChIKey: UZRSFWUQUGFVBS-UHFFFAOYSA-N