CAS No.71-41-0,1-Pentanol Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	71-41-0
Name:	1-Pentanol
Article Data:	381

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

Synthetic route

: 110-62-3
pentanal

: 71-41-0
pentan-1-ol

Conditions

Conditions	Yield
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

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.

: 5390-04-5
pent-1-yn-5-ol

: 71-41-0
pentan-1-ol

Conditions

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

...Expand

: 109-52-4
valeric acid

: 71-41-0
pentan-1-ol

Conditions

Conditions	Yield
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

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;

: 4737-50-2
n-pentylboronic acid

: 71-41-0
pentan-1-ol

Conditions

Conditions	Yield
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

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

Raw Materials

539-82-2

108-55-4

110-62-3

24539-56-8

35754-82-6

71-48-7

821-09-0

50-00-0

Downstream Products

30100-15-3

78-83-1

232949-65-4

2051-05-0

97-54-1

111-16-0

20279-49-6

21865-49-6

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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,