4-Pentyloxybenzoic acid supplier

Name
4-Pentyloxybenzoic acid
EINECS 1533716-785-6
CAS No. 15872-41-0
Article Data137
CAS DataBase
Density 1.084 g/cm³
Solubility soluble in alcohol, aether and water
Melting Point 126-128 °C(lit.)
Formula C₁₂H₁₆O₃
Boiling Point 333.3 °C at 760 mmHg
Molecular Weight 208.257
Flash Point 124.6 °C
Transport Information
Appearance White to light yellow crystal powder
Safety 24/25
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Benzoicacid, p-(pentyloxy)- (6CI,8CI);Benzoic acid, p-amoxy- (4CI);4-Pentoxybenzoicacid;NSC 71397;p-(Pentyloxy)benzoic acid;p-(n-Pentoxy)benzoic acid;p-Amyloxybenzoic acid;p-Pentoxybenzoic acid;p-n-Pentyloxybenzoic acid;
PSA 46.53000
LogP 2.95380

4-Pentyloxybenzoic acid Specification

The Benzoic acid,4-(pentyloxy)-, with the CAS registry number 15872-41-0, has the systematic name of 4-(pentyloxy)benzoic acid. And the molecular formula of this chemical is C₁₂H₁₆O₃. It is a kind of white to light yellow crystal powder, and belongs to the following product categories: Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Benzoic acid; Organic acids; Acids & Esters; Anisoles, Alkyloxy Compounds & Phenylacetates; Benzoic Acids (Building Blocks for Liquid Crystals); Building Blocks for Liquid Crystals; Functional Materials. In addition, it is used as intermediates of liquid crystals.

The physical properties of Benzoic acid,4-(pentyloxy)- are as following: (1)ACD/LogP: 4.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.04; (4)ACD/LogD (pH 7.4): 1.37; (5)ACD/BCF (pH 5.5): 67.71; (6)ACD/BCF (pH 7.4): 1.46; (7)ACD/KOC (pH 5.5): 359.08; (8)ACD/KOC (pH 7.4): 7.74; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.52; (14)Molar Refractivity: 58.39 cm³; (15)Molar Volume: 191.9 cm³; (16)Polarizability: 23.14×10^-24cm³; (17)Surface Tension: 40.7 dyne/cm; (18)Density: 1.084 g/cm³; (19)Flash Point: 124.6 °C; (20)Enthalpy of Vaporization: 60.82 kJ/mol; (21)Boiling Point: 333.3 °C at 760 mmHg; (22)Vapour Pressure: 5.46E-05 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin. Therefore, you had better avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1ccc(OCCCCC)cc1
(2)InChI: InChI=1/C12H16O3/c1-2-3-4-9-15-11-7-5-10(6-8-11)12(13)14/h5-8H,2-4,9H2,1H3,(H,13,14)
(3)InChIKey: OZPPUPJQRJYTNY-UHFFFAOYAI

Product Name

4-Pentyloxybenzoic acid

4-Pentyloxybenzoic acid Specification

Related Products

Hot Products