3-Pentanol
Synonym(s):sec-inact.-Pentyl alcohol;3-Pentanol;Diethyl carbinol
- CAS NO.:584-02-1
- Empirical Formula: C5H12O
- Molecular Weight: 88.15
- MDL number: MFCD00004574
- EINECS: 209-526-7
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-12-18 14:15:30
What is 3-Pentanol?
Chemical properties
colourless liquid
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.
The Uses of 3-Pentanol
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.
The Uses of 3-Pentanol
3-Pentanol can be used as:
- A starting material for the preparation of liquid crystals, 1-ethylpropyl (R)-2-[4-(4′-alkoxybiphenylcarbonyloxy)-phenoxy]propionates by reacting with chiral (S)-lactic acid.
- Solvent/reductant in the catalytic deoxydehydration reaction of C4?C6 sugar alcohols into linear polyene using methyltrioxorhenium as a catalyst.
- A reactant for the synthesis of 3-(4-bromophenyloxy)pentane by reacting with 4-bromophenol via base-catalyzed Mitsunobu reaction.
Definition
ChEBI: A secondary alcohol that is pentane substituted at position 3 by a hydroxy group.
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
Reflux the alcohol with CaO, distil, then reflux it with magnesium and again fractionally distil it. [Beilstein 1 IV 1662.]
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.
Properties of 3-Pentanol
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 | n |
Flash point: | 105 °F |
storage temp. | Store below +30°C. |
solubility | Soluble in acetone, benzene, ethanol and diethyl ether. |
form | Liquid |
pka | 15.31±0.20(Predicted) |
color | Clear colorless |
Relative polarity | 0.463 |
Odor | at 0.10 % in propylene glycol. sweet herbal oily nutty |
explosive limit | 1.2-8%(V) |
Water Solubility | 5.5 g/100 mL (30 ºC) |
Merck | 14,7120 |
BRN | 1730964 |
Dielectric constant | 17.0(20℃) |
Stability: | Stable. Combustible. Incompatible with strong oxidizing agents. |
CAS DataBase Reference | 584-02-1(CAS DataBase Reference) |
NIST Chemistry Reference | 3-Pentanol(584-02-1) |
EPA Substance Registry System | 3-Pentanol (584-02-1) |
Safety information for 3-Pentanol
Signal word | Warning |
Pictogram(s) |
Flame Flammables GHS02 Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H226:Flammable liquids H302:Acute toxicity,oral H315:Skin corrosion/irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P233:Keep container tightly closed. P240:Ground/bond container and receiving equipment. P241:Use explosion-proof electrical/ventilating/lighting/…/equipment. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. |
Computed Descriptors for 3-Pentanol
New Products
(S)-3-Aminobutanenitrile hydrochloride 4-Methylphenylacetic acid N-Boc-D-alaninol N-BOC-D/L-ALANINOL Tert-butyl bis(2-chloroethyl)carbamate 3-Morpholino-1-(4-nitrophenyl)-5,6-dihydropyridin- 2(1H)-one Furan-2,5-Dicarboxylic Acid Tropic acid 1-Bromo-3,5-Di-Tert-Butylbenzene S-2-CHLORO PROPIONIC ACID ETHYL ISOCYANOACETATE 2-Bromo-1,3-Bis(Dimethylamino)Trimethinium Hexafluorophosphate 4-IODO BENZOIC ACID 3-NITRO-2-METHYL ANILINE 1-(2,4-DICHLOROPHENYL) ETHANAMINE (2-Hydroxyphenyl)acetonitrile 4-Bromopyrazole 2-(Cyanocyclohexyl)acetic acid 4-methoxy-3,5-dinitropyridine 1-(4-(aminomethyl)benzyl)urea hydrochloride 2-aminopropyl benzoate hydrochloride diethyl 2-(2-((tertbutoxycarbonyl)amino) ethyl)malonate tert-butyl 4- (ureidomethyl)benzylcarbamate Ethyl-2-chloro((4-methoxyphenyl)hydrazono)acetateRelated products of tetrahydrofuran
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