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5333-42-6

Basic Information
CAS No.: 5333-42-6
Name: 2-Octyl-1-dodecanol
Article Data: 15
Cas Database
Molecular Structure:
Molecular Structure of 5333-42-6 (2-Octyl-1-dodecanol)
Formula: C20H42O
Molecular Weight: 298.553
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: N/A
Appearance: N/A
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
Transport Information: N/A
PSA: 20.23000
LogP: 6.87630
Synthetic route
112-30-1

1-Decanol

7440-02-0

nickel

5333-42-6

2-octyldodecan-1-ol

Conditions
ConditionsYield
With sodium hydroxide90%

methyl 2-octyldodecanoate

5333-42-6

2-octyldodecan-1-ol

Conditions
ConditionsYield
With lithium aluminium tetrahydride In tetrahydrofuran at 20℃; for 2h; Cooling with ice;86%
112-30-1

1-Decanol

A

5333-42-6

2-octyldodecan-1-ol

B

13893-37-3

2-octydodecyl aldehyde

Conditions
ConditionsYield
With cesium hydroxide; C33H48IIr2N6(1+)*F6P(1-) In toluene at 120℃; for 16h; Guerbet Reaction; Sealed tube;A 76%
B 3%
112-30-1

1-Decanol

5333-42-6

2-octyldodecan-1-ol

Conditions
ConditionsYield
With cesium hydroxide; C33H48IIr2N6(1+)*F6P(1-) In toluene at 120℃; for 8h; Reagent/catalyst; Guerbet Reaction; Sealed tube;69%
With dichloro(pentamethylcyclopentadienyl) iridium; potassium tert-butylate; 1,7-Octadiene In para-xylene at 120℃; for 4h; Guerbet reaction;43%
With heptanal; potassium hydroxide at 230 - 245℃; under 760 Torr; for 6h; Guerbet Reaction; Dean-Stark;
112-30-1

1-Decanol

111-27-3

hexan-1-ol

A

3913-02-8

2-(n-butyl)octanol

B

2425-77-6

2-hexyldecan-1-ol

C

21078-85-3

5-hydroxymethyl-pentadecane

D

5333-42-6

2-octyldodecan-1-ol

Conditions
ConditionsYield
With potassium hydroxide at 255℃; for 6h; Reagent/catalyst; Dean-Stark; Inert atmosphere;A 8.4%
B n/a
C n/a
D 39.1%
112-31-2

caprinaldehyde

5333-42-6

2-octyldodecan-1-ol

Conditions
ConditionsYield
With nickel at 220 - 250℃; Hydrogenation;
With nickel; decalin at 220 - 250℃; Hydrogenation;
With potassium hydroxide; benzyl alcohol
112-31-2

caprinaldehyde

100-51-6

benzyl alcohol

A

5333-42-6

2-octyldodecan-1-ol

B

107613-29-6

(±)-2-benzyl-1-decanol

Conditions
ConditionsYield
With potassium hydroxide
112-31-2

caprinaldehyde

nickel

nickel

A

112-30-1

1-Decanol

B

5333-42-6

2-octyldodecan-1-ol

Conditions
ConditionsYield
at 220 - 250℃; under 36775.4 Torr; Hydrogenation;
112-31-2

caprinaldehyde

91-17-8

decalin

nickel

nickel

A

112-30-1

1-Decanol

B

5333-42-6

2-octyldodecan-1-ol

Conditions
ConditionsYield
at 220 - 250℃; under 36775.4 Torr; Hydrogenation;
112-31-2

caprinaldehyde

benzylalcoholic KOH-solution

benzylalcoholic KOH-solution

A

5333-42-6

2-octyldodecan-1-ol

B

2-benzyl-decanol-(1)

2-benzyl-decanol-(1)

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  • 2-Octyl-1-dodecanol CAS NO. 5333-42-6

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    2-Octyl-1-dodecanol CAS NO. 5333-42-6

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  • 2-Octyl-1-dodecanolCAS NO.:5333-42-6

  • Casno:

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    2-Octyl-1-dodecanolCAS NO.:5333-42-6

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  • Casno:

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    Name: 2-octyl-1-dodecanol CAS: 5333-42-6 Molecular Formula: C20H42O Molecular Weight: 298.547 Application:Fine chemical

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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