Products Categories
| CAS No.: | 15872-41-0 |
|---|---|
| Name: | 4-Pentyloxybenzoic acid |
| Article Data: | 137 |
| Molecular Structure: | |
|
|
|
| Formula: | C12H16O3 |
| Molecular Weight: | 208.257 |
| 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; |
| EINECS: | 1533716-785-6 |
| Density: | 1.084 g/cm3 |
| Melting Point: | 126-128 °C(lit.) |
| Boiling Point: | 333.3 °C at 760 mmHg |
| Flash Point: | 124.6 °C |
| Solubility: | soluble in alcohol, aether and water |
| Appearance: | White to light yellow crystal powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 24/25 |
| PSA: | 46.53000 |
| LogP: | 2.95380 |
- 483366-12-7(2S,4R)-1-Boc-2-cyano-4-hydroxypyrrolidine
- 173606-50-3BOC-10-AMINODECANOIC ACID
- 361456-36-2METHYL (R)-(+)-ISOCYANATO-3-PHENYLPROPI&
- 5156-58-1N-(1-Benzyl-4-pipperidinyl)-N-phenylpropanamide HCl
- 81281-59-67-Benzylideneaminotheophylline
- 50288-62-5threo-Phenyl-2-piperidyl acetamide
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 47087-37-6Z-D-Glu-OMe
- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 211914-50-0N-[[2-[[[4-(Aminoiminomethyl)phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-(2-pyridinyl)-beta-alanine ethyl ester hydrochloride
What can I do for you?
Get Best Price
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