|CAS No.||111-87-5||Density||0.824 g/cm3|
|Solubility||insoluble in water||Melting Point||-15 °C(lit.)
|Formula||C8H18O||Boiling Point||194.665 °C at 760 mmHg|
|Molecular Weight||130.28||Flash Point||81.111 °C|
|Transport Information||Appearance||colourless liquid|
|Molecular Structure||Hazard Symbols||Xi|
Caprylic alcohol;n-Octanol;n-Octyl alcohol;1-Hydroxyoctane;AI3-02169;Alcohol C-8;Alfol 8;C8 alcohol;CCRIS 9099;Caprylic alcohol;
The 1-Octanol,with the CAS registry number 111-87-5, it is also named as Caprylic alcohol. The product's categories are 1-alkanols; monofunctional & alpha,omega-bifunctional alkanes; monofunctional alkanes. It is colourless liquid with a penetrating odour that it should be avoided contact with strong oxidants, acids and acyl chlorine, so it must sealed in the container which is placed in the cool and dry aera. 1-Octanol can react with acid by esterification in the catalyst. Additionally, it can be oxidized to produce the corresponding aldehyde or acid.
The other characteristics of 1-Octanol can be summarized as:
(1)ACD/LogP: 2.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.876; (4)ACD/LogD (pH 7.4): 2.876; (5)ACD/BCF (pH 5.5): 90.391; (6)ACD/BCF (pH 7.4): 90.391; (7)ACD/KOC (pH 5.5): 874.594; (8)ACD/KOC (pH 7.4): 874.594; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 7; (12)Index of Refraction: 1.428; (13)Molar Refractivity: 40.647 cm3; (14)Molar Volume: 158.095 cm3; (15)Polarizability: 16.114×10-24 cm3; (16)Surface Tension: 29.091 dyne/cm; (17)Enthalpy of Vaporization: 50.137 kJ/mol; (18)Vapour Pressure: 0.114 mmHg at 25°C; (19)Rotatable Bond Count: 6; (20)Exact Mass: 130.135765; (21)MonoIsotopic Mass: 130.135765; (22)Topological Polar Surface Area: 20.2; (23)Heavy Atom Count: 9.
Preparation of 1-Octanol:
It is obtained industrially by oxidation of the alkylaluminium products. The following is the chemical equation:
Al(C2H5)3 + 9 C2H4 → Al(C8H17)3
Al(C8H17)3 + 3 O + 3 H2O → 3 HOC8H17 + Al(OH)3
The process generates of alcohols that are separated by distillation.
Uses of of 1-Octanol:
The primary use of this chemical is in the manufacture of various esters. It is also used as a defoaming or wetting agent and a solvent for protective coatings, waxes, and oils, and as a raw material for plasticizers. Besides, in experimental medical applications, using octanol to control Essential Tremor and other types of involuntary neurological tremors.
Safety information of 1-Octanol:
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection.
People can use the following data to convert to the molecule structure.
The following are the toxicity data of 1-Octanol:
|Organism||Test Type||Route||Reported Dose (Normalized Dose)||Effect||Source|
|frog||LDLo||parenteral||1240mg/kg (1240mg/kg)||PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE |
BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
|Archives Internationales de Pharmacodynamie et de Therapie. Vol. 50, Pg. 296, 1935.|
|guinea pig||LD50||skin||> 1gm/kg (1000mg/kg)||Food and Cosmetics Toxicology. Vol. 11, Pg. 95, 1973.|
|mammal (species unspecified)||LD50||unreported||4gm/kg (4000mg/kg)||Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(5), Pg. 61, 1986.|
|mouse||LD50||intravenous||69mg/kg (69mg/kg)||Archives Internationales de Pharmacodynamie et de Therapie. Vol. 135, Pg. 330, 1962.|
|mouse||LD50||oral||1790mg/kg (1790mg/kg)||Hygiene and Sanitation Vol. 31(1-3), Pg. 310, 1966.|
|rat||LCLo||inhalation||5600mg/m3/4H (5600mg/m3)||LUNGS, THORAX, OR RESPIRATION: STRUCTURAL OR FUNCTIONAL CHANGE IN TRACHEA OR BRONCHI |
LUNGS, THORAX, OR RESPIRATION: CHRONIC PULMONARY EDEMA
|United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. Vol. 8EHQ-1088-0762,|
|rat||LD50||oral||> 3200mg/kg (3200mg/kg)||Food and Cosmetics Toxicology. Vol. 11, Pg. 95, 1973.|
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