| Identification | More | [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 Properties | Back 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) | [Specific Heat Capacity]
Cp(liquid):239.7J/(g·K),at 25℃ | [Merck ]
14,7120 | [BRN ]
1730964 | [Henry's Law Constant]
6.0×10-1 mol/(m3Pa) at 25℃, Brockbank (2013) | [Dielectric constant]
17.0（20℃） | [InChI]
1S/C5H12O/c1-3-5(6)4-2/h5-6H,3-4H2,1-2H3 | [InChIKey]
AQIXEPGDORPWBJ-UHFFFAOYSA-N | [SMILES]
CCC(O)CC | [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 Data | Back 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 . | [OEB]
A | [OEL]
TWA: 100.0 ppm; 360.0 mg/m3, STEL: 125.0 ppm; 450.0 mg/m3 | [RIDADR ]
UN 1105 3/PG 3
| [WGK Germany ]
1
| [RTECS ]
SA5075000
| [Autoignition Temperature]
815 °F | [TSCA ]
Yes | [HazardClass ]
3 | [PackingGroup ]
III | [HS Code ]
29051500 | [Storage Class]
3 - Flammable liquids | [Hazard Classifications]
Acute Tox. 4 Oral
Flam. Liq. 3
Skin Irrit. 2
STOT SE 3 | [Toxicity]
LD50 orally in Rabbit: 1870 mg/kg LD50 dermal Rabbit 2066 mg/kg |
| Hazard Information | Back 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.] |
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