ChemicalBook--->CAS DataBase List--->71-41-0

71-41-0

71-41-0 Structure

71-41-0 Structure
IdentificationMore
[Name]

1-Pentanol
[CAS]

71-41-0
[Synonyms]

1-Amyl alcohol
1-Pentano1
1-PENTANOL
1-PENTANOL ALCOHOL
1-PENTYL ALCOHOL
ALCOHOL C5
AMYL ALCOHOL
AMYL ALCOHOL, N-
AMYL ALCOHOL, NORMAL
BUTYLCARBINOL
FEMA 2056
FUSEL OIL
N-AMYL ALCOHOL
N-BUTYLCARBINOL
N-PENTANOL
N-PENTYL ALCOHOL
PENTAN-1-OL
PENTYL ALCOHOL
PRI-N-AMYL ALCOHOL
WATER STANDARD, AMYL ALCOHOL
[EINECS(EC#)]

200-752-1
[Molecular Formula]

C5H12O
[MDL Number]

MFCD00002977
[Molecular Weight]

88.15
[MOL File]

71-41-0.mol
Chemical PropertiesBack Directory
[Appearance]

Amyl alcohols (pentanols) have eight isomers. All are flammable, colorless liquids, except the isomer 2,2- dimethyl-1-propanol, which is a crystalline solid.
[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)
[FEMA ]

2056
[refractive index ]

n20/D 1.409(lit.)
[Fp ]

120 °F
[storage temp. ]

Flammables area
[solubility ]

water: soluble22.8g/L at 25°C
[form ]

Liquid
[pka]

15.24±0.10(Predicted)
[color ]

APHA: ≤30
[Odor]

Pleasant 0.1 ppm
[PH Range]

7
[Relative polarity]

0.568
[Stability:]

Stable. Flammable. Incompatible with strong oxidizing agents.
[explosive limit]

10%, 100°F
[Odor Threshold]

0.1ppm
[Odor Type]

fermented
[Water Solubility ]

22 g/L (22 ºC)
[JECFA Number]

88
[Merck ]

14,7118
[BRN ]

1730975
[Dielectric constant]

15.8(20℃)
[LogP]

1.51
[Uses]

Raw material for pharmaceutical preparations; organic synthesis solvent.
[CAS DataBase Reference]

71-41-0(CAS DataBase Reference)
[NIST Chemistry Reference]

1-Pentanol(71-41-0)
[EPA Substance Registry System]

71-41-0(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xn,F,Xi
[Risk Statements ]

R10:Flammable.
R20:Harmful by inhalation.
R37:Irritating to the respiratory system.
R66:Repeated exposure may cause skin dryness or cracking.
[Safety Statements ]

S46:If swallowed, seek medical advice immediately and show this container or label .
[RIDADR ]

UN 1105 3/PG 3
[WGK Germany ]

1
[RTECS ]

SB9800000
[Autoignition Temperature]

572 °F
[Hazard Note ]

Irritant/Flammable
[TSCA ]

Yes
[HazardClass ]

3
[PackingGroup ]

II
[HS Code ]

29051990
[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.
[Hazardous Substances Data]

71-41-0(Hazardous Substances Data)
[Toxicity]

LD50 orally in Rabbit: 3670 mg/kg LD50 dermal Rabbit 2306 mg/kg
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Hydrogen-->Pentane-->Valeric acid-->Valeraldehyde-->Amalgam sodium-->Sodium oleate-->VALERENIC ACID-->Cobalt carbonyl-->Carbon monoxide and hydrogen mixtures
[Preparation Products]

CIS-BUTENEDIOIC ANHYDRIDE-->Butyric Acid-->3-Amino-5-methylpyrazole-->1,3-Dimethyl-1H-pyrazol-5-amine-->5-Bromo-1,3-dimethyl-1H-pyrazole-->5-ISOTHIOCYANATO-1,3-DIMETHYL-1H-PYRAZOLE-->Valeric acid-->1-Bromopentane-->4-CHLORO-1,3-DIMETHYLPYRAZOLO[3,4-B]PYRIDINE-5-CARBOXYLIC ACID-->1-(2-PYRROLIDINOETHYL)PIPERAZINE-->1H-Pyrazolo[3,4-b]pyridine-3-carboxylicacid(9CI)-->Amyl acetate-->1-(2-PYRAZINYL)-PIPERAZINE-->PENTYL ETHER-->Valeraldehyde-->6-N-BUTOXYPURINE-->Benzoguanamine-->Vanillic acid-->Pentyl nitrite-->FEMA 2079-->Potassium Amylxanthate-->DI-N-PENTYL PHTHALATE-D4-->AMYL FORMATE-->1-Iodopentane-->AMYL BUTYRATE
Hazard InformationBack Directory
[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.
[Reactivity Profile]

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

Highly flammable. Soluble in water.
[Hazard]

Lower explosive level in air 1.2% by vol- ume. 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.
[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.
[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.
[First aid]

Skin contact contributes significantly to overall exposure. If this chemical gets into the eyes, remove any contact lenses at once and irrigate immediately for at least 15 minutes, occasionally lifting upper and lower lids. Seek medical attention immediately. If this chemical contacts the skin, remove contaminated clothing and wash immediately with soap and water. Seek medical attention immediately. If this chemical has been inhaled, remove from exposure, begin rescue breathing (using universal precautions, including resuscitation mask) if breathing has stopped and CPR if heart action has stopped. Transfer promptly to a medical facility. When this chemical has been swallowed, get medical attention. Give large quantities of water and induce vomiting. Do not make an unconscious person vomit.
[Shipping]

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

1-Pentanol is a monohydroxy alcohol. It is a colorless liquid with a characteristic odor. Its combustion properties have been studied as it shows promising features to be an alternative to gasoline and diesel fuels. The conversion of 1-pentanol to di-n-pentyl ether (DNPE) in liquid phase at 423K in a batch reactor using ion exchange resins as catalysts.?
[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 .
[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.
[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.
[Occurrence]

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

Color Code—Red: Flammability Hazard: Store ina flammable liquid storage area or approved cabinet awayfrom ignition sources and corrosive and reactive materials.Prior to working with this chemical you should be trained onits proper handling and storage. Before entering confinedspace where amyl alcohols may be present, check to makesure that an explosive concentration does not exist. Store intightly closed containers in a cool, well-ventilated area awayfrom strong oxidizers; strong acids and hydrogen trifluoride;since violent reactions occur. Metal containers involving thetransfer of this chemical should be grounded and bonded.Where possible, automatically pump liquid from drums orother storage containers to process containers. Drums mustbe equipped with self-closing valves, pressure vacuumbungs; and flame arresters. Use only nonsparking tools andequipment, especially when opening and closing containersof this chemical. Sources of ignition, such as smoking andopen flames, are prohibited where this chemical is used,handled, or stored in a manner that could create a potentialfire or explosion hazard.
[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.]
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

1-amyl alcohol(71-41-0).msds
Spectrum DetailBack Directory
[Spectrum Detail]

1-Pentanol(71-41-0)MS
1-Pentanol(71-41-0)1HNMR
1-Pentanol(71-41-0)13CNMR
1-Pentanol(71-41-0)IR1
1-Pentanol(71-41-0)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

1-Pentanol,extrapure,99%(71-41-0)
[Alfa Aesar]

1-Pentanol, ACS, 99+%(71-41-0)
[Sigma Aldrich]

71-41-0(sigmaaldrich)
[TCI AMERICA]

1-Pentanol,>98.0%(GC)(71-41-0)
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