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CAS No.: | 3913-02-8 | |||
---|---|---|---|---|
Name: | 2-BUTYL-1-OCTANOL | |||
Article Data: | 35 | |||
Molecular Structure: | ||||
Formula: | C12H26 O | |||
Molecular Weight: | 186.338 | |||
Synonyms: | 2-Butyl-1-octanol;2-Butyloctanol; 2-Butyloctyl alcohol; 5-(Hydroxymethyl)undecane; Guerbet C12;Guerbet dodecanol; Isofol 12; Jarcol I 12; NSC 2414 | |||
EINECS: | 223-470-0 | |||
Density: | 0.833 g/mL at 25 °C(lit.) | |||
Melting Point: | < -30 C | |||
Boiling Point: | 145 - 149 C | |||
Flash Point: | 110 C | |||
Solubility: | clear liquid | |||
Hazard Symbols: | UN NO. | |||
Transport Information: | 160kgs | |||
PSA: | 20.23000 | |||
LogP: | 3.75550 |
2-butyloctanoic acid
2-(n-butyl)octanol
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; |
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% |
methyl 2-butyloctanoate
2-(n-butyl)octanol
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; |
1-Decanol
hexan-1-ol
A
2-(n-butyl)octanol
B
2-hexyldecan-1-ol
C
5-hydroxymethyl-pentadecane
D
2-octyldodecan-1-ol
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% |
octanol
hexan-1-ol
A
2-hexadecyleicosyl alcohol
B
2-(n-butyl)octanol
C
2-hexyl-1-octanol
D
2-butyl-1-decanol
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 |
Conditions | Yield |
---|---|
With potassium hydroxide |
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-(n-butyl)octanol
Conditions | Yield |
---|---|
With N,N,N,N,N,N-hexamethylphosphoric triamide; tert-butyl alcohol |
Conditions | Yield |
---|---|
With zirconocene dichloride; oxygen; diisobutylaluminum chloride 1.) 40 deg C, 4 h, 2.) 4 h; Yield given. Multistep reaction; |
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.
It is used in organic synthesis.
It is derived from natural fats and oils, are high molecular straight chain primary alcohols.
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. |
Reported in EPA TSCA Inventory.
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.
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.