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Cas Database

Name	2-Butyl-1-octanol	EINECS	223-470-0
CAS No.	3913-02-8	Density	0.833 g/mL at 25 °C(lit.)
PSA	20.23000	LogP	3.75550
Solubility		Melting Point		< -30 C
Formula	C12H26 O	Boiling Point	145 - 149 C
Molecular Weight	186.338	Flash Point	110 C
Transport Information	160kgs	Appearance	clear liquid
Safety		Risk Codes	N/A
Molecular Structure		Hazard Symbols	UN NO.
Synonyms	2-Butyl-1-octanol;2-Butyloctanol; 2-Butyloctyl alcohol; 5-(Hydroxymethyl)undecane; Guerbet C12;Guerbet dodecanol; Isofol 12; Jarcol I 12; NSC 2414	Article Data	35

2-Butyl-1-octanol Synthetic route

: 27610-92-0
2-butyloctanoic acid

: 3913-02-8
2-(n-butyl)octanol

Conditions

Conditions	Yield
With samarium diiodide; water; triethylamine In tetrahydrofuran at 20℃; for 18h; Inert atmosphere;	94%
With samarium diiodide; water; triethylamine In tetrahydrofuran at 20℃; Inert atmosphere;	99 %Spectr.
With samarium diiodide; tributyl-amine; water In tetrahydrofuran at 23℃; Kinetics; Concentration; Inert atmosphere; chemoselective reaction;

: 111-27-3
hexan-1-ol

: 3913-02-8
2-(n-butyl)octanol

Conditions

Conditions	Yield
With zinc(II) oxide; sodium hydroxide at 210℃; for 3h; Temperature; Inert atmosphere;	86%
With dichloro(pentamethylcyclopentadienyl) iridium; potassium tert-butylate; 1,7-Octadiene In para-xylene at 120℃; for 4h; Guerbet reaction;	77%
With dicarbonyl(η4-3,4-bis(4-methoxyphenyl)-2,5-diphenylcyclopenta-2,4-dienone)(iodine)ruthenium[1,3 -dimethylimidazolium]; p-benzoquinone; sodium hydroxide at 150℃; for 4h; Reagent/catalyst; Schlenk technique; Inert atmosphere;	30.6%

: 53692-86-7
methyl 2-butyloctanoate

: 3913-02-8
2-(n-butyl)octanol

Conditions

Conditions	Yield
With lithium aluminium tetrahydride In tetrahydrofuran at 20℃; for 2h; Cooling with ice;	83%
With isopropyl alcohol In hexane at 0 - 20℃; for 0.583333h; Bouveault-Blanc Reduction; Inert atmosphere;	73%
With methanol; thulium(II) iodide In tetrahydrofuran at 23℃; Inert atmosphere; Schlenk technique;	63 %Spectr.
With samarium diiodide; water; triethylamine In tetrahydrofuran Inert atmosphere; chemoselective reaction;

: 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

: 111-87-5
octanol

: 111-27-3
hexan-1-ol

A: 17658-63-8
2-hexadecyleicosyl alcohol

B: 3913-02-8
2-(n-butyl)octanol

C: 19780-79-1
2-hexyl-1-octanol

D: 21078-81-9, 123518-89-8
2-butyl-1-decanol

Conditions

Conditions	Yield
With potassium hydroxide at 225℃; for 6h; Dean-Stark; Inert atmosphere;	A 22.32% B 19.2% C n/a D n/a

...Expand

: 66-25-1
hexanal

: 100-51-6
benzyl alcohol

A: 3913-02-8
2-(n-butyl)octanol

B: 7500-73-4
(±)-2-benzyl-1-hexanol

Conditions

Conditions	Yield
With potassium hydroxide

: 66-25-1
hexanal

: 3913-02-8
2-(n-butyl)octanol

Conditions

Conditions	Yield
With potassium hydroxide
With calcium carbide at 110℃;
Multi-step reaction with 3 steps 1: L-lysine / chloroform-d1 / 20 °C / Inert atmosphere 2: glucose dehydrogenase; NADPH; D-glucose; ene reductase from gluconobacter oxydans / methanol; aq. phosphate buffer / 24 h / 20 °C / pH 7 / Inert atmosphere; Enzymatic reaction 3: alcohol dehydrogenase rhodococcus sp.; glucose dehydrogenase; NADPH; D-glucose / methanol; aq. phosphate buffer / 24 h / 20 °C / pH 7 / Inert atmosphere; Enzymatic reaction View Scheme

: 2-butyl-octanoic acid dimethylamide

: 3913-02-8
2-(n-butyl)octanol

Conditions

Conditions	Yield
With N,N,N,N,N,N-hexamethylphosphoric triamide; tert-butyl alcohol

: 5698-48-6
2-butyl-1-octene

: 3913-02-8
2-(n-butyl)octanol

Conditions

Conditions	Yield
With zirconocene dichloride; oxygen; diisobutylaluminum chloride 1.) 40 deg C, 4 h, 2.) 4 h; Yield given. Multistep reaction;

: 66-25-1
hexanal

benzylalcoholic KOH: benzylalcoholic KOH

A: 3913-02-8
2-(n-butyl)octanol

B 2-butyl-3-phenyl-propanol-(1): 2-butyl-3-phenyl-propanol-(1)

2-Butyl-1-octanol Chemical Properties

IUPAC Name: 2-Butyloctan-1-ol
Molecular Formula: C₁₂H₂₆O
Molecular Weight: 186.34g/mol
EINECS: 223-470-0
Density: 0.829 g/cm³
Melting Point: < -30 °C
Boiling Point: 245.5 °C at 760 mmHg
Flash Point: 100.1 °C
Appearance: clear liquid
Stability: stable, incompatible with strong oxidizing agents, combustible
Transport Information: 160kgs
Freely Rotating Bonds: 10
Polar Surface Area: 9.23 Å²
Index of Refraction: 1.439
Molar Refractivity: 59.13 cm³
Molar Volume: 224.4 cm³
Polarizability: 23.44 ×10^-24 cm³
Surface Tension: 29.6 dyne/cm
Enthalpy of Vaporization: 56.07 kJ/mol
Vapour Pressure: 0.00476 mmHg at 25°C
2-Butyl-1-octanol , its Cas Register Number is 3913-02-8.The chemical synonyms of 2-Butyl-1-octanol (CAS NO.3913-02-8) are 2-Butyl-1-octano ; 2-Butyloctyl alcohol ; 2-Butyloctylalcohol ; 5-(Hydroxymethyl)undecane ; Isododecyl alcoho l ; Michel XO-150-12 ; 2-Butyl-1-octanol ; 2-Butyloctan-1-ol .Product categories of 2-Butyl-1-octanol (CAS NO.3913-02-8) are Alcohols ; C₉ to C₃₀ ; Oxygen Compounds . The molecular structure of 2-Butyl-1-octanol (CAS NO.3913-02-8) is.

2-Butyl-1-octanol Uses

It is used in organic synthesis.

2-Butyl-1-octanol Production

It is derived from natural fats and oils, are high molecular straight chain primary alcohols.

2-Butyl-1-octanol Toxicity Data With Reference

1.	skn-rbt 10 mg/24H open MLD		AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. 4 (1951),119.
2.	eye-rbt 500 mg open		AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. 4 (1951),119.
3.	orl-rat LD50:13 g/kg	+	AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. 4 (1951),119.

2-Butyl-1-octanol Consensus Reports

Reported in EPA TSCA Inventory.

2-Butyl-1-octanol Safety Profile

Mildly toxic by ingestion. A skin and eye irritant. See also ALCOHOL, DENATURED; ALCOHOLS, C6-12; ALCOHOLS, C9-11; ALCOHOLS, C12-13, ETHOXYLATED; ALCOHOLS, C12-15, ETHOXYLATED; ALCOHOLS, C12-16, ETHOXYLATED; ALCOHOLS, C14-15, ETHOXYLATED; ALCOHOLS, C16-18, ETHOXYLATED; ALCOHOLS, C8-10, ETHOXYLATED PROPOXYLATED; ALCOHOLS, C12-15, ETHOXYLATED PROPOXYLATED; ALCOHOLS, N.O.S.. Combustible when exposed to heat or flame. Incompatible with oxidizing materials. To fight fire, use CO₂, dry chemical. When heated to decomposition it emits acrid and irritating fumes.

2-Butyl-1-octanol Specification

Their deriver include lauryl (C₁₂) , MyrIstyl (C₁₄) , Cetyl ( or palmityl: C₁₆) , Stearyl (C₁₈) , Oleyl (C₁₈, unsaturated) , and Linoleyl (C₁₈, polyunsaturated) alcohols . There are synthetic fatty alcohols equivalent physically and chemically to natural alcohols obtained from oleochemical sources such as coconut and palm kernel oil. Fatty alcohols are emulsifiers and emollients to make skin smoother and prevent moisture loss. As chemical intermediates, the primary use of fatty alcohols are as raw material for the production of fatty sulfate salts and alcohol ethoxylates for foaming and cleaning purposes in the field of detergent industry. Chemical reactions of primary alcohols include esterifications, ethoxylation, sulfation, oxidation and many other reactions.
Large amount of fatty alcohols are used as special solvents, fillers in plasticizer and insulating materials for the building industry. Fatty alcohols are used as ingredients in the industries of agricultural, foodstuff, metal processing, cosmetics, lube additive, pharmaceutical, rubber, textile, perfume and flavouring as well as synthetic detergent.

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