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1-Pentanol

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1-Pentanol Basic information

Product Name:
1-Pentanol
CAS:
71-41-0
MF:
C5H12O
MW:
88.15
EINECS:
200-752-1
Mol File:
71-41-0.mol
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1-Pentanol Chemical Properties

Melting point:
−78 °C(lit.)
Boiling point:
136-138 °C(lit.)
Density 
0.811 g/mL at 25 °C(lit.)
vapor density 
3 (vs air)
vapor pressure 
1 mm Hg ( 13.6 °C)
refractive index 
n20/D 1.409(lit.)
FEMA 
2056 | AMYL ALCOHOL
Flash point:
120 °F
storage temp. 
Flammables area
solubility 
water: soluble22.8g/L at 25°C
pka
15.24±0.10(Predicted)
form 
Liquid
color 
APHA: ≤30
PH Range
7
Odor
Pleasant 0.1 ppm
Relative polarity
0.568
Odor Threshold
0.1ppm
explosive limit
10%, 100°F
Water Solubility 
22 g/L (22 ºC)
JECFA Number
88
Merck 
14,7118
BRN 
1730975
Stability:
Stable. Flammable. Incompatible with strong oxidizing agents.
CAS DataBase Reference
71-41-0(CAS DataBase Reference)
NIST Chemistry Reference
1-Pentanol(71-41-0)
EPA Substance Registry System
1-Pentanol (71-41-0)
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Safety Information

Hazard Codes 
Xn,F,Xi
Risk Statements 
10-20-37-66-37/38
Safety Statements 
46-36/37
RIDADR 
UN 1105 3/PG 3
WGK Germany 
1
RTECS 
SB9800000
Autoignition Temperature
572 °F
Hazard Note 
Irritant/Flammable
TSCA 
Yes
HS Code 
2905 19 00
HazardClass 
3
PackingGroup 
II
Hazardous Substances Data
71-41-0(Hazardous Substances Data)
Toxicity
LD50 orally in Rabbit: 3670 mg/kg LD50 dermal Rabbit 2306 mg/kg

MSDS

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1-Pentanol Usage And Synthesis

Chemical Properties

Amyl alcohols (pentanols) have eight isomers. All are flammable, colorless liquids, except the isomer 2,2- dimethyl-1-propanol, which is a crystalline solid.
Amyl alcohol has a characteristic fusel-like sweet and pleasant odor and burning taste. It is somewhat more toxic than ethyl alcohol.

Chemical Properties

1-Pentanol is a clear, colorless liquid at ambient temperatures.The air odor detection level (lowest perceptible level) was reported as 10 ppm for 1-pentanol .

Occurrence

Reported found in banana, sweet cherry, cranberry, bourbon, vanilla, rice bran and Brazil nut.

Uses

Raw material for pharmaceutical preparations; organic synthesis solvent.

Production Methods

1-Pentanol is made primarily by the oxo process, which involves the reaction of butenes with carbon monoxide and hydrogen in the presence of a catalyst, followed by hydrogenation. 1-Pentanol is used as a solvent, as a chemical intermediate for esters, and as a food additive and flavoring substance. The primary routes of industrial exposure are by dermal contact and inhalation.

Definition

ChEBI: An alkyl alcohol that is pentane in which a hydrogen of one of the methyl groups is substituted by a hydroxy group. It has been isolated from Melicope ptelefolia.

Aroma threshold values

Detection at 1.6 to 70 ppm

Taste threshold values

Taste characteristics at 50 ppm: intense fusel, fermented, bready and cereal with a fruity undertone

General Description

A colorless liquid with a mild to moderately strong odor. Less dense than water. Flash point 91°F. Boiling point 280°F. Vapors heavier than air. Moderately toxic by ingestion. Vapors may irritate skin and eyes. Used as a solvent and to make other chemicals.
Pentanol is incompatible with strong oxidising agents, alkali metals, alkaline earth metals, halogens, hydrogen trisulphide, acids, acetaldehyde, acid anhydrides, acid chlorides, lithium aluminium hydride, isocyanates, dialkylmagnesiums, n-halomides, ethylene oxide, hypochlorous acid, hydrogen peroxide and sulphuric acid, nitrogen tetraoxide, nitryl hypochlorite, permonosulphuric acid, and tri-isobutyl aluminium.

Air & Water Reactions

Highly flammable. Soluble in water.

Reactivity Profile

Moderately toxic, flammable if exposed to powerful oxidizers. Incompatible with oxidizing materials, hydrogen trisulfide [Sax, 9th ed., 1996, p. 224].

Hazard

Lower explosive level in air 1.2% by volume. Moderate fire risk.

Health Hazard

Irritation of skin, eyes, and respiratory tract; headache and vertigo; dyspnea and cough; nausea, vomiting, and diarrhea. Double vision, deafness, delirium, and occasionally fatal poisoning, preceded by severe nervous symptoms, have been reported. Coma, glycosuria, and methemoglobinemia can occur.

Fire Hazard

HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water.

Safety Profile

Moderately toxic by ingestion and skin contact. An eye and upper respiratory irritant by inhalation. A severe skin and eye irritant. Ingestion can cause headache, nausea, vomiting, delirium, and methemoglobin formation. Mutation data reported. Extremely flammable if exposed to heat, flame, or powerful oxiduers. Moderately explosive when exposed to flame. Incompatible with oxidzing materials, hydrogen trisulfide. To fight fire, use alcohol foam, dry chemical.

Potential Exposure

(n-isomer); Suspected reprotoxic hazard, Primary irritant (w/o allergic reaction), (iso-, primary): Possible risk of forming tumors, Primary irritant (w/o allergic reaction), (sec-, active primary-, and other isomers) Primary irritant (w/o allergic reaction). Used as a solvent in organic synthesis and synthetic flavoring, pharmaceuticals, corrosion inhibitors; making plastics and other chemicals; as a flotation agent. The (n-isomer) is used in preparation of oil additives, plasticizers, synthetic lubricants, and as a solvent.

Shipping

UN2811 Pentanols, Hazard Class: 3; Labels: 3- Flammable liquid. UN1987 Alcohols, n.o.s., Hazard Class: 3; Labels: 3-Flammable liquid.

Purification Methods

Dry 1-pentanol with anhydrous K2CO3 or CaSO4, filter and fractionally distil it. It has also been treated with 1-2% of sodium and heated at reflux for 15hours to remove water and chlorides. Traces of water can be removed from the near-dry alcohol by refluxing it with a small amount of sodium in the presence of 2-3% n-amyl phthalate or succinate followed by distillation (see ethanol). Small amounts of amyl alcohol have been purified by esterifying with p-hydroxybenzoic acid, recrystallising the ester from CS2, saponifying with ethanolic-KOH, drying with CaSO4 and fractionally distilling [Olivier Recl Trav Chim Pays-Bas 55 1027 1936]. [Beilstein 1 IV 1640.]

Incompatibilities

Forms an explosive mixture with air. Contact with strong oxidizers and hydrogen trisulfide may cause fire and explosions. Incompatible with strong acids. Violent reaction with alkaline earth metals forming hydrogen, a flammable gas.

Waste Disposal

Dissolve or mix the material with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber. All federal, state, and local environmental regulations must be observed.

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1-PentanolSupplierMore

Shanghai Excellent Chemical Co., Ltd. Gold
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Jinan Century Tongda Chemical Co., Ltd. Gold
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J & K SCIENTIFIC LTD.
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Meryer (Shanghai) Chemical Technology Co., Ltd.
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Alfa Aesar
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400-610-6006
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saleschina@alfa-asia.com
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