CAS No.13205-46-4,4-Isopropoxybenzoic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	13205-46-4
Name:	4-Isopropoxybenzoic acid
Article Data:	14

Formula:	C₁₀H₁₂O₃
Molecular Weight:	180.203
Synonyms:	Benzoicacid, p-isopropoxy- (6CI,7CI,8CI);4-(1-Methylethoxy)benzoic acid;4-(2-Propyloxy)benzoic acid;4-(Isopropyloxy)benzoic acid;4-Isopropoxybenzoicacid;NSC 16646;p-Isopropoxybenzoic acid;
EINECS:	236-169-4
Density:	1.13g/cm³
Melting Point:	164-167 °C(lit.)
Boiling Point:	297.3 °C at 760 mmHg
Flash Point:	115.6 °C
Solubility:	Insoluble in water.
Appearance:	white to off-white powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	24/25
PSA:	46.53000
LogP:	2.17200

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Specification

The Benzoic acid,4-(1-methylethoxy)-, with CAS registry number 13205-46-4, belongs to the following product categories: (1)Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; (2)Benzoic acid; (3)Acids & Esters; (4)C10; (5)Carbonyl Compounds; (6)Carboxylic Acids. It has the systematic name of 4-(propan-2-yloxy)benzoic acid. This chemical is a kind of white to off-white powder. And the chemical formula of this chemical is C₁₀H₁₂O₃. What's more, its EINECS is 236-169-4.

Physical properties of Benzoic acid,4-(1-methylethoxy)-: (1)ACD/LogP: 2.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.94; (4)ACD/LogD (pH 7.4): 0.23; (5)ACD/BCF (pH 5.5): 10.57; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 104.19; (8)ACD/KOC (pH 7.4): 2.08; (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: 1.528; (14)Molar Refractivity: 49.08 cm³; (15)Molar Volume: 159.3 cm³; (16)Polarizability: 19.45×10^-24cm³; (17)Surface Tension: 40.9 dyne/cm; (18)Density: 1.13 g/cm³; (19)Flash Point: 115.6 °C; (20)Enthalpy of Vaporization: 56.73 kJ/mol; (21)Boiling Point: 297.3 °C at 760 mmHg; (22)Vapour Pressure: 0.00061 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Benzoic acid,4-(1-methylethoxy)- irritates to eyes, respiratory system and skin. When use it, please avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1ccc(OC(C)C)cc1
(2)InChI: InChI=1/C10H12O3/c1-7(2)13-9-5-3-8(4-6-9)10(11)12/h3-7H,1-2H3,(H,11,12)
(3)InChIKey: ZVERWTXKKWSSHH-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C10H12O3/c1-7(2)13-9-5-3-8(4-6-9)10(11)12/h3-7H,1-2H3,(H,11,12)
(5)Std. InChIKey: ZVERWTXKKWSSHH-UHFFFAOYSA-N