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5333-42-6

Basic Information
CAS No.: 5333-42-6
Name: 2-Octyl-1-dodecanol
Molecular Structure:
Molecular Structure of 5333-42-6 (2-Octyl-1-dodecanol)
Formula: C20H42O
Molecular Weight: 298.55
Synonyms: 2-Octyldodecanol;2-Octyldodecyl alcohol;Fine Oxocol2000;Kalcohl 200GD;1-Dodecanol, 2-octyl-;
EINECS: 226-242-9
Density: 0.837 g/cm3
Melting Point: 1 °C(lit.)
Boiling Point: 357.691 °C at 760 mmHg
Flash Point: 129.673 °C
Solubility:
Appearance:
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
Transport Information:
PSA: 20.23000
LogP: 6.87630
Downstream Products
1260685-63-9
13287-24-6
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Specification

2-Octyl-1-dodecanol is an organic compound with the formula C20H42O, and its systematic name is the same with the product name. With the CAS registry number 5333-42-6, it is also named as 1-Dodecanol, 2-octyl-. It belongs to the product categories of Alcohols; C9 to C30; Oxygen Compounds. Its EINECS number is 226-242-9. In addition, the molecular weight is 298.55. Its classification code is Skin / Eye Irritant. This chemical should be sealed and stored in a cool and dry place. Moreover, it should be ensured that the workshop is well ventilated. It is widely used in cosmetics, detergent dispersants industry, fiber-moistening agents, printing ink assistant agents, high grade oil additives and other fields.

Physical properties of 2-Octyl-1-dodecanol are: (1)ACD/LogP: 8.834 # of Rule of 5 Violations: 1; (2)ACD/LogD (pH 5.5): 8.83; (3)ACD/LogD (pH 7.4): 8.83; (4)ACD/BCF (pH 5.5): 1000000.00; (5)ACD/BCF (pH 7.4): 1000000.00; (6)ACD/KOC (pH 5.5): 1523889.00; (7)ACD/KOC (pH 7.4): 1523889.00; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 18; (11)Polar Surface Area: 20.23 Å2; (12)Index of Refraction: 1.452; (13)Molar Refractivity: 96.2 cm3; (14)Molar Volume: 356.553 cm3; (15)Polarizability: 38.137×10-24cm3; (16)Surface Tension: 31.09 dyne/cm; (17)Density: 0.837 g/cm3; (18)Flash Point: 129.673 °C; (19)Enthalpy of Vaporization: 69.817 kJ/mol; (20)Boiling Point: 357.691 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25°C.

Uses of 2-Octyl-1-dodecanol: it can be used to produce toluene-4-sulfonic acid 2-octyl-dodecyl ester at the temperature of -10 °C. It will need reagents pyridine with the reaction time of 6 hours. The yield is about 74%.

 2-Octyl-1-dodecanol can be used to produce toluene-4-sulfonic acid 2-octyl-dodecyl ester at the temperature of -10 °C

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need to wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: OCC(CCCCCCCCCC)CCCCCCCC
(2)Std. InChI: InChI=1S/C20H42O/c1-3-5-7-9-11-12-14-16-18-20(19-21)17-15-13-10-8-6-4-2/h20-21H,3-19H2,1-2H3
(3)Std. InChIKey: LEACJMVNYZDSKR-UHFFFAOYSA-N