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ChemicalBook--->CAS DataBase List--->584-02-1

584-02-1

584-02-1 Structure

584-02-1 Structure
IdentificationMore
[Name]

3-Pentanol
[CAS]

584-02-1
[Synonyms]

3-HYDROXYPENTANE
3-PENTANOL
DIETHYL CARBINOL
SEC-AMYL ALCOHOL
SEC-INACT-AMYLALCOHOL
SEC-INACT-PENTYL ALCOHOL
(C2H5)2CHOH
1-ethyl-1-propanol
3-Pentyl alcohol
3-pentylalcohol
alcool3-pentylique
diethylcarbinol(3-pentanol)
Pentan-3-ol
pentanol(non-specificname)
Pentanol-3
so-Amylalcohol
3-PENTANOL 99+%
pentanol,3-pentanol
3-Pentanol, 98+%
Pentane-3-ol
[EINECS(EC#)]

209-526-7
[Molecular Formula]

C5H12O
[MDL Number]

MFCD00004574
[Molecular Weight]

88.15
[MOL File]

584-02-1.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 ]

-75 °C
[Boiling point ]

114-115 °C/749 mmHg (lit.)
[density ]

0.815 g/mL at 25 °C(lit.)
[vapor pressure ]

11.69 hPa (25 °C)
[refractive index ]

n20/D 1.410(lit.)
[Fp ]

105 °F
[storage temp. ]

Flammables area
[solubility ]

Soluble in acetone, benzene, ethanol and diethyl ether.
[form ]

Liquid
[pka]

15.31±0.20(Predicted)
[color ]

Clear colorless
[Odor]

at 0.10 % in propylene glycol. sweet herbal oily nutty
[Relative polarity]

0.463
[Stability:]

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

1.2-8%(V)
[Odor Type]

herbal
[Water Solubility ]

5.5 g/100 mL (30 ºC)
[Merck ]

14,7120
[BRN ]

1730964
[Dielectric constant]

17.0(20℃)
[LogP]

1.210
[CAS DataBase Reference]

584-02-1(CAS DataBase Reference)
[NIST Chemistry Reference]

3-Pentanol(584-02-1)
[EPA Substance Registry System]

584-02-1(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xn
[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 ]

SA5075000
[Autoignition Temperature]

815 °F
[TSCA ]

Yes
[HazardClass ]

3
[PackingGroup ]

III
[HS Code ]

29051500
[Toxicity]

LD50 orally in Rabbit: 1870 mg/kg LD50 dermal Rabbit 2066 mg/kg
Raw materials And Preparation ProductsBack Directory
[Preparation Products]

3-Pentanone-->2-Ethylbutyric acid-->2-ETHYLBUTYRALDEHYDE-->1-METHYLBUTYL ACETATE-->2-CHLOROPENTANE-->2-Pentanol-->3-Pentanol, 4-methylbenzenesulfonate-->ACETOACETIC ACID 3-PENTYL ESTER
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

3-Pentanol(584-02-1).msds
Hazard InformationBack Directory
[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.
[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.
[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.
[Chemical Properties]

colourless liquid
[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.
[Uses]

3-Pentanol is widely used as a flavoring agent. It is biogenic oxygenated volatile organic compound (BOVOC) and is used as a reagent in the synthesis of pure bromopentanes for infrared standards.
[Definition]

ChEBI: A secondary alcohol that is pentane substituted at position 3 by a hydroxy group.
[Purification Methods]

Reflux the alcohol with CaO, distil, then reflux it with magnesium and again fractionally distil it. [Beilstein 1 IV 1662.]
Spectrum DetailBack Directory
[Spectrum Detail]

3-Pentanol(584-02-1)MS
3-Pentanol(584-02-1)1HNMR
3-Pentanol(584-02-1)IR1
3-Pentanol(584-02-1)IR2
3-Pentanol(584-02-1)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3-Pentanol, 98%(584-02-1)
[Alfa Aesar]

3-Pentanol, 98+%(584-02-1)
[Sigma Aldrich]

584-02-1(sigmaaldrich)
[TCI AMERICA]

3-Pentanol,>98.0%(GC)(584-02-1)
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