2-Butyl-1-octanol supplier | CasNO.3913-02-8

Name
2-BUTYL-1-OCTANOL
EINECS 223-470-0
CAS No. 3913-02-8
Article Data35
CAS DataBase
Density 0.833 g/mL at 25 °C(lit.)
Solubility
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
PSA 20.23000
LogP 3.75550

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

...Expand

: 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)

...Expand

: 19779-06-7
sodium hexanolate

: 66-25-1
hexanal

: 111-27-3
hexan-1-ol

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

B: 142-62-1
hexanoic acid

C 2-butyl-oct-2ξ-en-1-ol: 2-butyl-oct-2ξ-en-1-ol

...Expand

: 66-25-1
hexanal

calcium carbide: calcium carbide

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

B 5-formyl-undecene-(5): 5-formyl-undecene-(5)

C 2-butyl-octanediol-(1.3)-monocaproate: 2-butyl-octanediol-(1.3)-monocaproate

D caproic acid ester of 2-butyl-octanol-(1): caproic acid ester of 2-butyl-octanol-(1)

Conditions

Conditions	Yield
at 115℃;

...Expand

: 111-27-3
hexan-1-ol

KOH: KOH

aluminium: aluminium

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

Conditions

Conditions	Yield
at 270℃; under 14710.2 Torr;

...Expand

: 111-27-3
hexan-1-ol

KOH: KOH

magnesium: magnesium

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

Conditions

Conditions	Yield
at 270℃; under 14710.2 Torr;

...Expand

: 111-27-3
hexan-1-ol

sodium: sodium

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

Conditions

Conditions	Yield
at 230 - 290℃; unter Druck;

: 56-23-5
tetrachloromethane

: 111-27-3
hexan-1-ol

zinc dust: zinc dust

ZnO: ZnO

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

B 2-butyl-octen-(2)-ol-(1): 2-butyl-octen-(2)-ol-(1)

Conditions

Conditions	Yield
at 205℃; under 1471.02 Torr;

...Expand

: 71-36-3
butan-1-ol

: 111-27-3
hexan-1-ol

zinc: zinc

ZnO: ZnO

A: 104-76-7
2-Ethylhexyl alcohol

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

C 2-ethyl-octanol-(1): 2-ethyl-octanol-(1)

D 2-butyl-hexanol-(1): 2-butyl-hexanol-(1)

...Expand

butyl-n-hexyl-acetic acid ethyl ester: butyl-n-hexyl-acetic acid ethyl ester

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

Conditions

Conditions	Yield
With ethanol; sodium

: 64-17-5
ethanol

: 2-butyl-octanoic acid ethyl ester

sodium: sodium

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

...Expand

: 111-27-3
hexan-1-ol

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

B 2-butyl-octen-(2)-ol-(1): 2-butyl-octen-(2)-ol-(1)

Conditions

Conditions	Yield
With sodium hydroxide anschliessendes Erhitzen in Gegenwart von Zinkstaub+Zinkoxyd auf 205grad unter ca. 2 at Druck unter Abtrennen des gebildeten Wassers;

: 88015-70-7
2-butyl-1-octanal

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

Conditions

Conditions	Yield
With glucose dehydrogenase; D-glucose; alcohol dehydrogenase rhodococcus sp.; NADPH In methanol; aq. phosphate buffer at 20℃; for 24h; pH=7; Solvent; Inert atmosphere; Enzymatic reaction;

: 64935-38-2, 99915-14-7, 13019-16-4
2-(n-butyl)-2-octenal

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

Conditions

Conditions	Yield
Stage #1: 2-butyl-oct-2-en-1-al With methanol; 5%-palladium/activated carbon at 50℃; under 7500.75 Torr; Large scale; Stage #2: With sodium tetrahydroborate at 50℃; for 1h; Temperature; Large scale;	4.5 kg

: 592-41-6
1-hexene

: 75-24-1
trimethylaluminum

A: 624-22-6
2-methylhexan-1-ol

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

C: C13H28O

D: C19H40O

Conditions

Conditions	Yield
Stage #1: 1-hexene; trimethylaluminum With (η5–neomenthylindenyl)2ZrCl2 In dichloromethane at 20℃; for 72h; Inert atmosphere; Stage #2: With oxygen In dichloromethane at 0℃; for 26h;

...Expand

: 592-41-6
1-hexene

: 75-24-1
trimethylaluminum

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

B: 75854-77-2
1-deuterio-2-methylhexane

C: C13H27(2)H

D: C19H39(2)H

Conditions

Conditions	Yield
Stage #1: 1-hexene; trimethylaluminum With (η5–neomenthylindenyl)2ZrCl2 In dichloromethane at 20℃; for 72h; Inert atmosphere; Stage #2: With hydrogen chloride In dichloromethane; water-d2 at 0℃;

...Expand

: 111-25-1
1-bromo-hexane

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

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

: 122459-92-1
Hexylmalonsaeure-dimethylester

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

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

: dimethyl 2-butyl-2-hexylmalonate

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

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

: 64-17-5
ethanol

: 111-27-3
hexan-1-ol

A: 111-87-5
octanol

B: 104-76-7
2-Ethylhexyl alcohol

C: 20592-10-3
2-ethyloctane-1-ol

D: 112-30-1
1-Decanol

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

Conditions

Conditions	Yield
With bis[dichloro(pentamethylcyclopentadienyl)iridium(III)]; potassium tert-butylate; 1,7-Octadiene In tetrahydrofuran at 100℃; for 24h; Inert atmosphere; Overall yield = 19 percent; Overall yield = 25 mg;

...Expand

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

: 1219732-61-2
4-dodecyloxy-4'-hydroxybenzil

: 1219732-56-5
4-dodecyloxy-4'-(2-butyloctyloxy)benzil

Conditions

Conditions	Yield
With triphenylphosphine; diethylazodicarboxylate In tetrahydrofuran; toluene at 0 - 20℃; for 2h; Mitsunobu reaction;	100%

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

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

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

Conditions

Conditions	Yield
With dmap; oxo[hexa(trifluoroacetato)]tetrazinc In toluene at 110℃; Inert atmosphere; Molecular sieve;	99.8%
With dmap; oxo[hexa(trifluoroacetato)]tetrazinc In toluene at 100℃; Inert atmosphere; Molecular sieve; Schlenk technique; Sealed tube;	81.6%

: 627-63-4
fumaryl dichloride

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

: 1142924-23-9
di(2-butyloctyl) fumarate

Conditions

Conditions	Yield
In tetrahydrofuran at 0 - 20℃; for 24h; Inert atmosphere;	99%

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

: 85531-02-8
5-(bromomethyl)undecane

Conditions

Conditions	Yield
With bromine; triphenylphosphine In dichloromethane at 0 - 20℃; Inert atmosphere;	95.3%
With 1H-imidazole; carbon tetrabromide; triphenylphosphine In dichloromethane at 20℃; for 3h; Cooling with ice;	90%
With bromine; triphenylphosphine In dichloromethane at 0 - 20℃; Inert atmosphere; Schlenk technique;	88.1%

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

: 1256345-37-5
5-(iodomethyl)undecane

Conditions

Conditions	Yield
With 1H-imidazole; iodine; triphenylphosphine In dichloromethane at 0 - 20℃; for 2h;	95%
With 1H-imidazole; iodine; triphenylphosphine In dichloromethane at 0 - 20℃; for 2h;	95%

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

: 93778-52-0
2-decyltetradecanoic acid

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

Conditions

Conditions	Yield
With toluene-4-sulfonic acid at 80 - 83℃; for 24h;	93.4%

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

: 98-59-9
p-toluenesulfonyl chloride

: 2-butyloctyl 4-methylbenzenesulfonate

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 5 - 20℃;	93%

: 824-72-6
P,P-dichlorophenylphosphine oxide

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

: 141024-65-9
2-butyl-1-octyl phenylphosphonic acid

Conditions

Conditions	Yield
Stage #1: P,P-dichlorophenylphosphine oxide; 2-(n-butyl)octanol With pyridine at 5 - 10℃; for 1.5 - 8.5h; Stage #2: With hydrogenchloride; water pH=1;	90%

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

: 33288-79-8
4,4'-dihydroxybenzil

: 1219732-57-6
4,4'-di(2-butyloctyloxy)benzil

Conditions

Conditions	Yield
With triphenylphosphine; diethylazodicarboxylate In tetrahydrofuran; toluene at 0 - 20℃; for 2h; Mitsunobu reaction;	90%

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

: 4,9-dimethoxynaphtho[1,2-b:5,6-b’]dithiophene

: 4,9-bis(2-butyl-1-octyl)naphtho[1,2-b:5,6-b’]dithiophene

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In water at 200℃; Inert atmosphere;	90%

: 24287-95-4
2-bromothiophene-3-carboxylic acid

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

: 2-butyloctyl 2-bromo-3-thiophenecarboxylate

Conditions

Conditions	Yield
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 20℃; for 48h;	90%

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

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

: C17H27BrO2S

Conditions

Conditions	Yield
With dmap; dicyclohexyl-carbodiimide	85%

: 123-99-9
azelaic acid

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

: di-2-butyloctyl azelate

Conditions

Conditions	Yield
With sulfuric acid In toluene at 120 - 130℃; for 4h; Dean-Stark;	83%

: 69778-83-2
4-methoxy-3-pyrrolin-2-one

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

: 914275-86-8
4-(2-butyloctyloxy)-1,5-dihydropyrrol-2-one

Conditions

Conditions	Yield
With methanesulfonic acid at 80℃; for 24h;	82%

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

: 720-73-0
4'-methyl-biphenyl-4-carboxylic acid

: 2-butyloctyl 4’-methylbiphenyl-4-caboxylate

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In toluene for 18h; Dean-Stark;	79%

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

: dimethyl 2,5-dibromothieno[3,2-b]thiophene-3,6-dicarboxylate

: bis(2-butyloctyl) 2,5-dibromothieno[3,2-b] thiophene-3,6-dicarboxylate

Conditions

Conditions	Yield
With Ti(acac)2 In toluene at 110℃; for 10h; Inert atmosphere;	79%

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

: 56962-08-4
4,5-dichlorophthalic acid

: 1030871-33-0
bis(2-butyloctyl)-4,5-dichlorophthalate

Conditions

Conditions	Yield
With sulfuric acid In toluene Heating;	78%

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

: 58334-40-0
2,3,9,10,16,17,23,24-(29H,31H)-Phthalocyanineoctacarboxylic acid

: 944909-73-3
2,3,9,10,16,17,23,24-octakis(2-butyloctyl-1-oxycarbonyl)-(29H,31H)-phthalocyanine

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In toluene for 48h; Heating;	78%
With toluene-4-sulfonic acid In toluene Heating;

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.

Product Name

2-BUTYL-1-OCTANOL

Synthetic route

2-Butyl-1-octanol Chemical Properties

2-Butyl-1-octanol Uses

2-Butyl-1-octanol Production

2-Butyl-1-octanol Toxicity Data With Reference

2-Butyl-1-octanol Consensus Reports

2-Butyl-1-octanol Safety Profile

2-Butyl-1-octanol Specification

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