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Dodecyl 4-hydroxybenzoate

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Name

Dodecyl 4-hydroxybenzoate

EINECS 220-195-8
CAS No. 2664-60-0 Density 0.997g/cm3
PSA 46.53000 LogP 5.46990
Solubility N/A Melting Point 54-56°C
Formula C19H30O3 Boiling Point 423.8°C at 760mmHg
Molecular Weight 306.445 Flash Point 164.6°C
Transport Information N/A Appearance N/A
Safety 22-24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 2664-60-0 (Dodecyl 4-hydroxybenzoate) Hazard Symbols N/A
Synonyms

Benzoicacid, p-hydroxy-, dodecyl ester (6CI,7CI,8CI);Dodecyl 4-hydroxybenzoate;Dodecyl p-hydroxybenzoate;Lauryl 4-hydroxybenzoate;Lauryl p-hydroxybenzoate;NSC 309822;POB-C 12;n-Dodecyl p-hydroxybenzoate;p-Hydroxybenzoic aciddodecyl ester;

Article Data 9

Dodecyl 4-hydroxybenzoate Specification

The CAS register number of Dodecyl 4-hydroxybenzoate is 2664-60-0. It also can be called as p-Hydroxybenzoic acid dodecyl ester and the systematic name about this chemical is Benzoic acid, p-hydroxy-, dodecyl ester. Its molecular formula is C19H30O3 and molecular weight is 306.44.

Physical properties about Dodecyl 4-hydroxybenzoate are: (1)ACD/LogP: 7.71; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.71; (4)ACD/LogD (pH 7.4): 7.65; (5)ACD/BCF (pH 5.5): 424894.5; (6)ACD/BCF (pH 7.4): 369524.03; (7)ACD/KOC (pH 5.5): 371586.38; (8)ACD/KOC (pH 7.4): 323162.78; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 14; (12)Polar Surface Area: 35.53Å2; (13)Index of Refraction: 1.503; (14)Molar Refractivity: 90.86 cm3; (15)Molar Volume: 307.3 cm3; (16)Surface Tension: 38.3 dyne/cm; (17)Density: 0.997 g/cm3; (18)Flash Point: 164.6 °C; (19)Enthalpy of Vaporization: 70.45 kJ/mol; (20)Boiling Point: 423.8 °C at 760 mmHg; (21)Vapour Pressure: 8.77E-08 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
People do not breathe dust and avoid contact with skin and eyes. 

People can use the following data to convert to the molecule structure.
1.SMILES: O=C(OCCCCCCCCCCCC)c1ccc(O)cc1
2.InChI: InChI=1/C19H30O3/c1-2-3-4-5-6-7-8-9-10-11-16-22-19(21)17-12-14-18(20)15-13-17/h12-15,20H,2-11,16H2,1H3
3.InChIKey: BAYSQTBAJQRACX-UHFFFAOYAN
4.Std. InChI: InChI=1S/C19H30O3/c1-2-3-4-5-6-7-8-9-10-11-16-22-19(21)17-12-14-18(20)15-13-17/h12-15,20H,2-11,16H2,1H3

The following are the toxicity data which has been tested.

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 4900mg/kg (4900mg/kg) PERIPHERAL NERVE AND SENSATION: LOCAL ANESTHETIC

BEHAVIORAL: ANALGESIA
Archives Internationales de Pharmacodynamie et de Therapie. Vol. 128, Pg. 135, 1960.

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