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CAS No.: | 71-41-0 |
---|---|
Name: | 1-Pentanol |
Article Data: | 381 |
Molecular Structure: | |
Formula: | C5H12O |
Molecular Weight: | 88.1497 |
Synonyms: | Pentylalcohol (8CI);1-Pentyl alcohol;Amyl alcohol;Amylol;Butyl carbinol;NSC5707;Pentanol;n-Amyl alcohol;n-Butyl carbinol;n-Pentan-1-ol;n-Pentanol;n-Pentyl alcohol; |
EINECS: | 200-752-1 |
Density: | 0.811 g/cm3 |
Melting Point: | -78 °C(lit.) |
Boiling Point: | 138.5 °C at 760 mmHg |
Flash Point: | 48.9 °C |
Solubility: | slightly soluble in water, but soluble in ethanol, ethyl ether, acetone |
Appearance: | Colorless liquid. |
Hazard Symbols: | Xn, F, Xi |
Risk Codes: | 10-20-37-66 |
Safety: | 46 |
Transport Information: | UN 1105 3/PG 3 |
PSA: | 20.23000 |
LogP: | 1.16890 |
Conditions | Yield |
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With hydrogen; triethylamine; chromium(0) hexacarbonyl at 160℃; under 75006 Torr; for 3h; | 100% |
With C79H23ClIrNO2; potassium carbonate In isopropyl alcohol for 18h; Inert atmosphere; Reflux; | 99% |
94% |
Conditions | Yield |
---|---|
With aluminum oxide; potassium hydroxide In diethyl ether for 3h; Product distribution; Ambient temperature; | 100% |
With potassium hydroxide; polystyrene-CH2=O(CH2CH2O)5H copolymer In benzene at 25℃; for 3h; | 100 % Chromat. |
With sodium hydroxide In methanol; water | 93 %Chromat. |
Conditions | Yield |
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Stage #1: pent-1-yn-5-ol With pyridinium p-toluenesulfonate In 1,2-dichloro-ethane at 80℃; for 20h; Stage #2: With triethylamine In dichloromethane at 20℃; for 6h; Stage #3: With trifluoroacetic acid In methanol; dichloromethane at 140℃; for 0.0666667h; microwave irradiation; Further stages.; | 100% |
Conditions | Yield |
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With hydrogen; copper-palladium; silica gel In ethanol at 25℃; under 760 Torr; Kinetics; | A 99.5% B n/a |
With hydrogen; ethylenediamine; Pd on pumice In tetrahydrofuran for 0.5h; | A 98 % Chromat. B 2 % Chromat. |
Conditions | Yield |
---|---|
Stage #1: n-butyl magnesium bromide; formaldehyd In diethyl ether at 15 - 20℃; Stage #2: With water at 40℃; Solvent; | 98.3% |
Conditions | Yield |
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In tetralin at 154℃; Mechanism; Kinetics; Ea, log A, ΔH(activation), volume of activation; other solvents, other temperatures; | A n/a B 98% C 2% D n/a |
Conditions | Yield |
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With zinc(II) tetrahydroborate In tetrahydrofuran for 3h; Heating; | 95% |
With hydrogen In neat (no solvent) at 180℃; under 37503.8 Torr; for 18h; | 83% |
With hydrogen In water at 129.84℃; for 5h; Autoclave; | 77% |
Conditions | Yield |
---|---|
With hydrogen In tetrahydrofuran at 40℃; under 760.051 Torr; for 9h; | A 95% B 5% |
With hydrogen In tetrahydrofuran at 25℃; under 15001.5 Torr; for 15h; Inert atmosphere; | |
With quinoline; hydrogen In tetrahydrofuran at 50℃; under 3750.38 Torr; for 2h; | |
With hydrogen In tetrahydrofuran at 30℃; under 2250.23 Torr; for 2h; Autoclave; |
Conditions | Yield |
---|---|
With potassium hydroxide In dimethyl sulfoxide at 100℃; for 0.0833333h; Microwave irradiation; Green chemistry; | 95% |
tert-butyldimethyl(pentyloxy)silane
pentan-1-ol
Conditions | Yield |
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With 1,11-bis(3-methyl-3H-imidazolium-1-yl)-3,6,9-trioxaundecane di(methanesulfonate) In methanol at 20℃; for 1.25h; | 94% |
The 1-Pentanol, with the CAS registry number 71-41-0, is also known as n-Amyl alcohol. It belongs to the product categories of 1-Alkanols; Monofunctional & alpha,omega-Bifunctional Alkanes; Monofunctional Alkanes. Its EINECS registry number is 200-752-1. This chemical's molecular formula is C5H12O and molecular weight is 88.14818. Its IUPAC name is called pentan-1-ol. This chemical's classification codes are Mutation data; Skin / Eye Irritant. This chemical can be used as solvent and raw material in organic synthetic. It also can be used as essence in chocolate, whiskey, shallot, apple, nuts, bread and cereals. In addition, Pentanol can be used as a solvent for coating CDs and DVDs. Another use is a replacement for gasoline.
Physical properties of 1-Pentanol: (1)ACD/LogP: 1.348; (2)ACD/LogD (pH 5.5): 1.35; (3)ACD/LogD (pH 7.4): 1.35; (4)ACD/BCF (pH 5.5): 6.23; (5)ACD/BCF (pH 7.4): 6.23; (6)ACD/KOC (pH 5.5): 128.92; (7)ACD/KOC (pH 7.4): 128.92; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction:1.407; (12)Molar Refractivity: 26.748 cm3; (13)Molar Volume: 108.575 cm3; (14)Polarizability: 10.604 10-24cm3; (15)Surface Tension: 27.1359996795654 dyne/cm; (16)Density: 0.812 g/cm3; (17)Flash Point: 48.889 °C; (18)Enthalpy of Vaporization: 43.779 kJ/mol; (19)Boiling Point: 138.457 °C at 760 mmHg; (20)Vapour Pressure: 2.81299996376038 mmHg at 25°C
Preparation of 1-Pentanol: This chemical can be prepared by pentanal. This reaction will need reagent hydrogen and solvent propan-2-ol, H2O. The reaction time is 16 hours with reaction temperature of 20 °C.
Uses of 1-Pentanol: It can be used to produce dichloro-acetic acid pentyl ester. This reaction will need reagent concentrated H2SO4.
When you are using this chemical, please be cautious about it as the following:
This chemical may catch fire in contact with air and only need brief contact with an ignition source which has a very low flash point or evolve highly flammable gases in contact with water. It may cause damage to health and may cause inflammation to the skin or other mucous membranes. Besides, it is flammable and harmful by inhalation. It is irritating to respiratory system. If swallowed, you must seek medical advice immediately and show this container or label.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCO
(2)InChI: InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3
(3)InChIKey: AMQJEAYHLZJPGS-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
cat | LDLo | intravenous | 122mg/kg (122mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 16, Pg. 1, 1920. | |
dog | LDLo | oral | 1400mg/kg (1400mg/kg) | BLOOD: HEMORRHAGE GASTROINTESTINAL: OTHER CHANGES | Comptes Rendus Hebdomadaires des Seances, Academie des Sciences. Vol. 81, Pg. 192, 1875. |
dog | LDLo | subcutaneous | 1800mg/kg (1800mg/kg) | BLOOD: HEMORRHAGE GASTROINTESTINAL: OTHER CHANGES | Comptes Rendus Hebdomadaires des Seances, Academie des Sciences. Vol. 81, Pg. 192, 1875. |
frog | LDLo | parenteral | 2gm/kg (2000mg/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 | LC | inhalation | > 14gm/m3/6H (14000mg/m3) | LUNGS, THORAX, OR RESPIRATION: DYSPNEA BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS | American Industrial Hygiene Association Journal. Vol. 34, Pg. 493, 1973. |
guinea pig | LD50 | intraperitoneal | 615mg/kg (615mg/kg) | EHP, Environmental Health Perspectives. Vol. 61, Pg. 321, 1985. | |
hamster | LD50 | intraperitoneal | 626mg/kg (626mg/kg) | EHP, Environmental Health Perspectives. Vol. 61, Pg. 321, 1985. | |
mammal (species unspecified) | LD50 | unreported | 1174mg/kg (1174mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(5), Pg. 61, 1986. | |
mouse | LCLo | inhalation | 14000mg/m3/6H (14000mg/m3) | LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) KIDNEY, URETER, AND BLADDER: "CHANGES IN TUBULES (INCLUDING ACUTE RENAL FAILURE, ACUTE TUBULAR NECROSIS)" | American Industrial Hygiene Association Journal. Vol. 34, Pg. 493, 1973. |
mouse | LD50 | intraperitoneal | 970mg/kg (970mg/kg) | EHP, Environmental Health Perspectives. Vol. 61, Pg. 321, 1985. | |
mouse | LD50 | intravenous | 184mg/kg (184mg/kg) | Archives Internationales de Pharmacodynamie et de Therapie. Vol. 135, Pg. 330, 1962. | |
mouse | LD50 | oral | 200mg/kg (200mg/kg) | BEHAVIORAL: GENERAL ANESTHETIC | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 35(9), Pg. 88, 1970. |
rabbit | LD50 | intraperitoneal | 140mg/kg (140mg/kg) | EHP, Environmental Health Perspectives. Vol. 61, Pg. 321, 1985. | |
rabbit | LD50 | skin | 2830uL/kg (2.83mL/kg) | KIDNEY, URETER, AND BLADDER: OTHER CHANGES LIVER: OTHER CHANGES | National Technical Information Service. Vol. OTS0534716, |
rat | LCLo | inhalation | 14000mg/m3/6H (14000mg/m3) | KIDNEY, URETER, AND BLADDER: "CHANGES IN TUBULES (INCLUDING ACUTE RENAL FAILURE, ACUTE TUBULAR NECROSIS)" LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | American Industrial Hygiene Association Journal. Vol. 34, Pg. 493, 1973. |
rat | LD50 | intraperitoneal | 579mg/kg (579mg/kg) | EHP, Environmental Health Perspectives. Vol. 61, Pg. 321, 1985. | |
rat | LD50 | intravenous | 196mg/kg (196mg/kg) | EHP, Environmental Health Perspectives. Vol. 61, Pg. 321, 1985. | |
rat | LD50 | oral | 5660uL/kg (5.66mL/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | National Technical Information Service. Vol. OTS0534716, |