2-Octyl-1-dodecanol supplier

Name
2-Octyl-1-dodecanol
EINECS 226-242-9
CAS No. 5333-42-6
Article Data15
CAS DataBase
Density 0.837 g/cm³
Solubility 10μg/L at 23℃
Melting Point 1 °C(lit.)
Formula C₂₀H₄₂O
Boiling Point 357.691 °C at 760 mmHg
Molecular Weight 298.553
Flash Point 129.673 °C
Transport Information
Appearance
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 2-Octyldodecanol;2-Octyldodecyl alcohol;Fine Oxocol2000;Kalcohl 200GD;1-Dodecanol, 2-octyl-;
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

Conditions	Yield
With sodium hydroxide	90%

: methyl 2-octyldodecanoate

: 5333-42-6
2-octyldodecan-1-ol

Conditions

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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%

...Expand

: 112-31-2
caprinaldehyde

: 5333-42-6
2-octyldodecan-1-ol

Conditions

Conditions	Yield
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

Conditions	Yield
With potassium hydroxide

...Expand

: 112-31-2
caprinaldehyde

nickel: nickel

A: 112-30-1
1-Decanol

B: 5333-42-6
2-octyldodecan-1-ol

Conditions

Conditions	Yield
at 220 - 250℃; under 36775.4 Torr; Hydrogenation;

...Expand

: 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

Conditions	Yield
at 220 - 250℃; under 36775.4 Torr; Hydrogenation;

...Expand

: 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)

...Expand

: 872-05-9
1-Decene

A: 2425-77-6
2-hexyldecan-1-ol

B: 5333-42-6
2-octyldodecan-1-ol

: 111-87-5
octanol

: 112-30-1
1-Decanol

A: 2425-77-6
2-hexyldecan-1-ol

B: 45235-48-1
2-octyl-1-decanol

C: 110225-00-8
2-hexyl-1-dodecanol

D: 5333-42-6
2-octyldodecan-1-ol

Conditions

Conditions	Yield
With potassium hydroxide at 190 - 225℃; for 3h; Dean-Stark; Inert atmosphere; Overall yield = 89.4 %;

...Expand

: 872-05-9
1-Decene

: 75-24-1
trimethylaluminum

A: 5333-42-6
2-octyldodecan-1-ol

: C31H62

: C21H44O

: C31H64O

Conditions

Conditions	Yield
Stage #1: 1-Decene; trimethylaluminum With rac-[(C2H4)(η5-C9H10)2]ZrCl2 In toluene at 20℃; for 72h; Inert atmosphere; Stage #2: With oxygen In toluene at 0℃; for 26h;

...Expand

: 872-05-9
1-Decene

: 97-93-8
triethylaluminum

A: 21078-65-9
2-ethyldecane-1-ol

B: 5333-42-6
2-octyldodecan-1-ol

: C22H46O

Conditions

Conditions	Yield
Stage #1: 1-Decene; triethylaluminum With rac-[(C2H4)(η5-C9H10)2]ZrCl2 In dichloromethane at 20℃; for 72h; Inert atmosphere; Stage #2: With oxygen In dichloromethane at 0℃; for 26h; Solvent;

...Expand

: 2-decylmalonic acid dimethyl ester

: 5333-42-6
2-octyldodecan-1-ol

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: sodium methylate / N,N-dimethyl-formamide / 0.5 h / 80 °C / Large scale 1.2: 2 h / 120 °C / Large scale 2.1: lithium chloride / N,N-dimethyl-formamide; water / 24 h / 160 °C / Large scale 3.1: lithium aluminium tetrahydride / tetrahydrofuran / 2 h / 20 °C / Cooling with ice View Scheme

: 2-octyl-2-decylmalonic acid dimethyl ester

: 5333-42-6
2-octyldodecan-1-ol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: lithium chloride / N,N-dimethyl-formamide; water / 24 h / 160 °C / Large scale 2: lithium aluminium tetrahydride / tetrahydrofuran / 2 h / 20 °C / Cooling with ice View Scheme

: 112-29-8
1-bromo dodecane

: 5333-42-6
2-octyldodecan-1-ol

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1.1: sodium methylate / N,N-dimethyl-formamide / 0.5 h / 80 °C / Large scale 1.2: 2 h / 120 °C / Large scale 2.1: sodium methylate / N,N-dimethyl-formamide / 0.5 h / 80 °C / Large scale 2.2: 2 h / 120 °C / Large scale 3.1: lithium chloride / N,N-dimethyl-formamide; water / 24 h / 160 °C / Large scale 4.1: lithium aluminium tetrahydride / tetrahydrofuran / 2 h / 20 °C / Cooling with ice View Scheme

Yield

Multi-step reaction with 4 steps
1.1: sodium methylate / N,N-dimethyl-formamide / 0.5 h / 80 °C / Large scale
1.2: 2 h / 120 °C / Large scale
2.1: sodium methylate / N,N-dimethyl-formamide / 0.5 h / 80 °C / Large scale
2.2: 2 h / 120 °C / Large scale
3.1: lithium chloride / N,N-dimethyl-formamide; water / 24 h / 160 °C / Large scale
4.1: lithium aluminium tetrahydride / tetrahydrofuran / 2 h / 20 °C / Cooling with ice
View Scheme

: 5333-42-6
2-octyldodecan-1-ol

: 69620-20-8
9-(bromomethyl)nonadecane

Conditions

Conditions	Yield
With N-Bromosuccinimide; triphenylphosphine In dichloromethane at 0 - 20℃;	99%
With N-Bromosuccinimide; triphenylphosphine In dichloromethane at 20℃; for 24h;	98%
With bromine; triphenylphosphine In dichloromethane at 0 - 20℃; Inert atmosphere;	97%

: 5333-42-6
2-octyldodecan-1-ol

: 40596-46-1
2-octyl-dodecanoic acid

Conditions

Conditions	Yield
With periodic acid; pyridinium chlorochromate In acetonitrile at 0℃;	99%
With periodic acid; pyridinium chlorochromate In acetonitrile at 0 - 20℃;	86%
With potassium permanganate; sulfuric acid In dichloromethane; water for 4h;	74%

: 5333-42-6
2-octyldodecan-1-ol

: 109-52-4
valeric acid

: 2-octyl-1-dodecyl pentanoate

Conditions

Conditions	Yield
With p-toluenesulfonic acid monohydrate	99%

: 103-82-2
phenylacetic acid

: 5333-42-6
2-octyldodecan-1-ol

: 2-octyl-1-dodecyl phenylacetate

Conditions

Conditions	Yield
With p-toluenesulfonic acid monohydrate	98%

: 7311-63-9
5-bromothiophene-2-carboxylic acid

: 5333-42-6
2-octyldodecan-1-ol

: 808142-41-8
2-octyl-dodecyl 5-bromothiophene-2-carboxylate

Conditions

Conditions	Yield
With 4-(dimethylamino)pyridinium tosylate; diisopropyl-carbodiimide In dichloromethane at 20℃;	97%

: 5333-42-6
2-octyldodecan-1-ol

: 544-63-8
n-tetradecanoic acid

: 2-octyl-1-dodecyl myristate

Conditions

Conditions	Yield
With (1S)-10-camphorsulfonic acid at 60℃; for 24h;	97%

: 5333-42-6
2-octyldodecan-1-ol

: 1043023-53-5
9-(iodomethyl)nonadecane

Conditions

Conditions	Yield
With 1H-imidazole; iodine; triphenylphosphine In dichloromethane at 0 - 20℃; for 2.25h;	97%
Stage #1: 2-octyldodecan-1-ol With 1H-imidazole; triphenylphosphine In dichloromethane at 0℃; Inert atmosphere; Stage #2: With iodine In dichloromethane at 0 - 20℃; for 2h; Inert atmosphere;	93%
With phosphoric acid; hydrogen iodide at 130℃; Inert atmosphere;	91%

: 5333-42-6
2-octyldodecan-1-ol

: 93778-52-0
2-decyltetradecanoic acid

: 2-decyl-tetradecanoic acid 2-octyl-dodecyl ester

Conditions

Conditions	Yield
With toluene-4-sulfonic acid at 80 - 83℃; for 24h;	96%

: 5333-42-6
2-octyldodecan-1-ol

: 1293389-28-2
5,6‐difluoro‐2,1,3‐benzothiadiazole

: C46H84N2O2S

Conditions

Conditions	Yield
Stage #1: 2-octyldodecan-1-ol With sodium hydride In N,N-dimethyl-formamide; paraffin oil at 0℃; for 1h; Stage #2: 5,6-difluorobenzo[c]1,2,5thiadiazole In N,N-dimethyl-formamide; paraffin oil at 20℃; for 12h;	95%

: 111-14-8
oenanthic acid

: 5333-42-6
2-octyldodecan-1-ol

: 2-octyl-1-dodecyl heptanoate

Conditions

Conditions	Yield
With p-toluenesulfonic acid monohydrate	95%
With toluene-4-sulfonic acid at 20 - 100℃; for 18h;

: 5333-42-6
2-octyldodecan-1-ol

: 13893-37-3
2-octydodecyl aldehyde

Conditions

Conditions	Yield
With pyridinium chlorochromate In dichloromethane at 27℃; for 3h;	94%
With magnesium sulfate; pyridinium chlorochromate In dichloromethane	92%
With silica gel; pyridinium chlorochromate In dichloromethane at 20℃;	90.8%

: 5333-42-6
2-octyldodecan-1-ol

: 16024-58-1
2-[2-(2-methoxyethoxy)etoxy]acetic acid

: 2-octyldodecyl 2-(2-(2-methoxyethoxy)ethoxy)acetate

Conditions

Conditions	Yield
With p-toluenesulfonic acid monohydrate	94%

: 108-30-5
succinic acid anhydride

: 5333-42-6
2-octyldodecan-1-ol

: 1583292-66-3
4-(2-octyldodecyloxy)-4-oxobutanoic acid

Conditions

Conditions	Yield
With pyridine In toluene for 5h; Reflux;	93%

: 5333-42-6
2-octyldodecan-1-ol

: 88-13-1
3-Thiophene carboxylic acid

: 2-octyldodecyl thiophene-3-carboxylate

Conditions

Conditions	Yield
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 20℃; for 12h; Inert atmosphere;	92%

: 5333-42-6
2-octyldodecan-1-ol

: 9-(fluoromethyl)nonadecane

Conditions

Conditions	Yield
With potassium 2-(difluoro(trifluoromethoxy)methoxy)-2,2-difluoroacetate; tetramethylammonium fluoride at 150℃; for 5h; Glovebox; Inert atmosphere; Schlenk technique; Sealed tube;	92%
With potassium 2-(difluoro(trifluoromethoxy)methoxy)-2,2-difluoroacetate; tetramethylammonium fluoride at 150℃; for 5h; Schlenk technique; Glovebox; Inert atmosphere;	92%

: 5333-42-6
2-octyldodecan-1-ol

: 98-59-9
p-toluenesulfonyl chloride

: 2-octyldodecyl 4-methylbenzenesulfonate

Conditions

Conditions	Yield
With pyridine at 0 - 20℃; for 3h; Inert atmosphere;	90%
With pyridine In dichloromethane at 0 - 20℃;	87%
With pyridine at 20℃; for 3h;	83%
With pyridine In dichloromethane at 20℃; for 48h; Cooling with ice;	80%
With pyridine at -10℃; for 6h;	74%

: methyl 3-ethyl-20-(triisopropylsilylethynyl)-pyropheophorbide a

: 5333-42-6
2-octyldodecan-1-ol

: 2-octyl-1-dodecyl 3-ethyl-20-(triisopropylsilylethynyl)-pyropheophorbide a

Conditions

Conditions	Yield
With hydrogenchloride In dichloromethane at 20℃; for 36h;	89.7%

: 5333-42-6
2-octyldodecan-1-ol

: dimethyl 5,5'-dibromo-[2,2'-bithiophene]-4,4'-dicarboxylate

: bis(2-octyldodecyl) 5,5'-dibromo-[2,2'-bithiophene]-4,4'-dicarboxylate

Conditions

Conditions	Yield
With titanium(IV) acetylacetone In toluene for 40h; Reflux;	88%
With dmap; oxo[hexa(trifluoroacetato)]tetrazinc In toluene at 100℃; Inert atmosphere; Molecular sieve; Schlenk technique; Sealed tube;	83.8%

: 5333-42-6
2-octyldodecan-1-ol

: 1295502-53-2
4,7-dibromo-5,6-difluorobenzo[c]1,2,5thiadiazole

: 4,7-dibromo-5-fluoro((2-octyldodecyl)oxy)benzo[c]1,2,5thiadiazole

Conditions

Conditions	Yield
With potassium tert-butylate In tetrahydrofuran Inert atmosphere; Reflux;	87%

: 5333-42-6
2-octyldodecan-1-ol

: di-(2-octyl-1-dodecyl) ether

Conditions

Conditions	Yield
tin(II) trifluoromethanesulfonate at 180℃;	86.8%

: 5333-42-6
2-octyldodecan-1-ol

: 2873-29-2
D-glucal triacetate

: 2-octyl-dodecan-1-yl 4,6-di-O-acetyl-2,3-dideoxy-α-D-erythro-hex-2-enopyranoside

Conditions

Conditions	Yield
With pentafluorophenylboronic acid In nitromethane at 40℃; for 6h; Ferrier Carbohydrate Rearrangement; stereoselective reaction;	86%

: 5333-42-6
2-octyldodecan-1-ol

: C14H6N2O4S4

: bis(2-octyldodecyl) (2,2'-(thiazolo[5,4-d]thiazole-2,5-diyl)bis(thiophene-3,2-diyl))dicarbamate

Conditions

Conditions	Yield
With diphenyl phosphoryl azide; triethylamine at 90℃; Curtius Rearrangement; Inert atmosphere;	85%

: 35054-69-4
N-(1-oxododecyl)alanine

: 5333-42-6
2-octyldodecan-1-ol

: N-lauroylalanine 2-octyldodecyl ester

Conditions

Conditions	Yield
With sodium bicarbonate; magnesium sulfate; toluene-4-sulfonic acid	82%

: 5333-42-6
2-octyldodecan-1-ol

: 1527526-62-0
C30H36N2O6

: C50H76N2O6

Conditions

Conditions	Yield
Stage #1: 2-octyldodecan-1-ol; C30H36N2O6 In dichloromethane; N,N-dimethyl-formamide at 0℃; for 0.25h; Stage #2: With 1,2-dichloro-ethane In dichloromethane; N,N-dimethyl-formamide at 20℃; for 24h;	78%

: 5333-42-6
2-octyldodecan-1-ol

: 6232-88-8
4-bromomethylbenzoic Acid

: 808142-53-2
(2-octyldodecyl) 4-bromomethylbenzoate

Conditions

Conditions	Yield
With 4-(dimethylamino)pyridinium tosylate; diisopropyl-carbodiimide In dichloromethane at 20℃;	76%

: 100523-84-0
2-bromothiophene-4-carboxylic acid

: 5333-42-6
2-octyldodecan-1-ol

: 2-octyldodecyl 5-bromothiophene-3-carboxylate

Conditions

Conditions	Yield
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 20℃; for 24h; Inert atmosphere;	76%

2-Octyl-1-dodecanol Consensus Reports

Reported in EPA TSCA Inventory.

2-Octyl-1-dodecanol 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

Product Name

2-Octyl-1-dodecanol

Synthetic route

2-Octyl-1-dodecanol Consensus Reports

2-Octyl-1-dodecanol Specification

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