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| CAS No.: | 2312-15-4 |
|---|---|
| Name: | 4-Dodecyloxybenzoic acid |
| Article Data: | 191 |
| Molecular Structure: | |
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| Formula: | C19H30O3 |
| Molecular Weight: | 306.445 |
| Synonyms: | Benzoicacid, p-(dodecyloxy)- (7CI,8CI);4-(Dodecyloxy)benzoic acid;4-(n-Dodecyloxy)benzoic acid;NSC 411;p-(Dodecyloxy)benzoic acid;4-(Dodecyloxy)benzoic Acid; |
| EINECS: | 219-004-0 |
| Density: | 0.996 g/cm3 |
| Melting Point: | 132-137 °C |
| Boiling Point: | 430.49 °C at 760 mmHg |
| Flash Point: | 144.143 °C |
| Solubility: | Insoluble in water. Soluble in N,N-Dimethylformamide. |
| Appearance: | White to light yellow crystal powder |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 24/25 |
| PSA: | 46.53000 |
| LogP: | 5.68450 |
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Specification
The Benzoic acid,4-(dodecyloxy)-, with the CAS registry number 2312-15-4 and EINECS registry number 219-004-0, has the systematic name of 4-(dodecyloxy)benzoic acid. And the molecular formula of this chemical is C19H30O3. It is a kind of white to light yellow crystal powder, and belongs to the following product categories: Benzoic acid; Acids & Esters; Anisoles, Alkyloxy Compounds & Phenylacetates; Benzoic Acids (Building Blocks for Liquid Crystals); Building Blocks for Liquid Crystals; Functional Materials; Building block; Liquid Crystals; Organic Electronics and Photonics.
The physical properties of Benzoic acid,4-(dodecyloxy)- are as following: (1)ACD/LogP: 7.81; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.75; (4)ACD/LogD (pH 7.4): 5.08; (5)ACD/BCF (pH 5.5): 43996.23; (6)ACD/BCF (pH 7.4): 957.09; (7)ACD/KOC (pH 5.5): 36691.72; (8)ACD/KOC (pH 7.4): 798.19; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 13; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.502; (14)Molar Refractivity: 90.82 cm3; (15)Molar Volume: 307.5 cm3; (16)Polarizability: 36×10-24cm3; (17)Surface Tension: 38 dyne/cm; (18)Density: 0.996 g/cm3; (19)Flash Point: 144.1 °C; (20)Enthalpy of Vaporization: 72.31 kJ/mol; (21)Boiling Point: 430.5 °C at 760 mmHg; (22)Vapour Pressure: 3.55E-08 mmHg at 25°C.
Uses of Benzoic acid,4-(dodecyloxy)-: It can react be used to produce 3-chloro-4-dodecyloxy-benzoic acid. This reaction will need reagent N,N'-dichlorobenzenesulfonamide, and the solvents acetic acid and H2SO4. And the yield is about 76%.
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You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin. Therefore, you had better avoid contacting with skin and eyes.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1ccc(OCCCCCCCCCCCC)cc1
(2)InChI: InChI=1/C19H30O3/c1-2-3-4-5-6-7-8-9-10-11-16-22-18-14-12-17(13-15-18)19(20)21/h12-15H,2-11,16H2,1H3,(H,20,21)
(3)InChIKey: ALQLYJHDBAKLBB-UHFFFAOYAI