The Octyl paraben, with the CAS registry number 1219-38-1, is also known as Octyl 4-hydroxybenzoate and p-Hydroxybenzoic acid octyl ester. It belongs to the product category of Aromatic Esters. Its EINECS number is 214-943-2. This chemical's molecular formula is C₁₅H₂₂O₃ and formula weight is 250.33. What's more, both its IUPAC name and systematic name are the same which is called Octyl 4-hydroxybenzoate. This chemical's classification code is Drug/Therapeutic Agent.

Physical properties about this chemical are: (1)ACD/LogP: 5.58; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.58; (4)ACD/LogD (pH 7.4): 5.52; (5)ACD/BCF (pH 5.5): 10303.7; (6)ACD/BCF (pH 7.4): 8983.76; (7)ACD/KOC (pH 5.5): 25933.34; (8)ACD/KOC (pH 7.4): 22611.19; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.511; (14)Molar Refractivity: 72.33 cm³; (15)Molar Volume: 241.3 cm³; (16)Surface Tension: 39.6 dyne/cm; (17)Density: 1.037 g/cm³; (18)Flash Point: 147.6 °C; (19)Melting Point: 52-53°C; (20)Enthalpy of Vaporization: 63.89 kJ/mol; (21)Boiling Point: 368.1 °C at 760 mmHg; (22)Vapour Pressure: 6.15E-06 mmHg at 25°C.

Preparation: this chemical can be prepared by 4-Hydroxy-benzoic acid and Octan-1-ol. This reaction will need reagent H₂SO₄ and solvent toluene. The reaction time is 4 hours. The yield is about 58%.



Uses of Octyl paraben: it can be used to produce 4-Sulfamoyloxy-benzoic acid octyl ester. This reaction will need reagent NaH and H₂NSO₂Cl. It also need solvent dimethylformamide and toluene with reaction time of 10 hours. The yield is about 32.2%.

When you are using this chemical, please be cautious about it as the following:
This chemical may irritate to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it,please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCCCCCCCC)c1ccc(O)cc1
(2)InChI: InChI=1/C15H22O3/c1-2-3-4-5-6-7-12-18-15(17)13-8-10-14(16)11-9-13/h8-11,16H,2-7,12H2,1H3
(3)InChIKey: RIKCMEDSBFQFAL-UHFFFAOYAZ

The toxicity data is as follows: