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71-41-0

Basic Information
CAS No.: 71-41-0
Name: 1-Pentanol
Article Data: 381
Cas Database
Molecular Structure:
Molecular Structure of 71-41-0 (1-Pentanol)
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: HarmfulXn, FlammableF, IrritantXi
Risk Codes: 10-20-37-66
Safety: 46
Transport Information: UN 1105 3/PG 3
PSA: 20.23000
LogP: 1.16890
Synthetic route
110-62-3

pentanal

71-41-0

pentan-1-ol

Conditions
ConditionsYield
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%
628-63-7

1-pentyl acetate

71-41-0

pentan-1-ol

Conditions
ConditionsYield
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; water93 %Chromat.
5390-04-5

pent-1-yn-5-ol

71-41-0

pentan-1-ol

Conditions
ConditionsYield
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%
6261-22-9

pent-2-yn-1-ol

A

1576-95-0

cis-2-penten-1-ol

B

71-41-0

pentan-1-ol

Conditions
ConditionsYield
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.
693-03-8

n-butyl magnesium bromide

50-00-0

formaldehyd

71-41-0

pentan-1-ol

Conditions
ConditionsYield
Stage #1: n-butyl magnesium bromide; formaldehyd In diethyl ether at 15 - 20℃;
Stage #2: With water at 40℃; Solvent;
98.3%
1002-16-0

amyl nitrate

A

50-00-0

formaldehyd

B

71-41-0

pentan-1-ol

C

106-97-8

n-butane

D

NO2

NO2

Conditions
ConditionsYield
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
109-52-4

valeric acid

71-41-0

pentan-1-ol

Conditions
ConditionsYield
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%
5390-04-5

pent-1-yn-5-ol

A

821-09-0

n-Pent-4-enyl alcohol

B

71-41-0

pentan-1-ol

Conditions
ConditionsYield
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;
4737-50-2

n-pentylboronic acid

71-41-0

pentan-1-ol

Conditions
ConditionsYield
With potassium hydroxide In dimethyl sulfoxide at 100℃; for 0.0833333h; Microwave irradiation; Green chemistry;95%
144363-01-9

tert-butyldimethyl(pentyloxy)silane

71-41-0

pentan-1-ol

Conditions
ConditionsYield
With 1,11-bis(3-methyl-3H-imidazolium-1-yl)-3,6,9-trioxaundecane di(methanesulfonate) In methanol at 20℃; for 1.25h;94%
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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

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.

Preparation of 1-Pentanol:

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,