P8025
3-Pentanol
98%
Synonym(s):
sec-inact.-Pentyl alcohol, Diethyl carbinol
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About This Item
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Quality Level
Assay
98%
autoignition temp.
815 °F
refractive index
n20/D 1.410 (lit.)
bp
114-115 °C/749 mmHg (lit.)
density
0.815 g/mL at 25 °C (lit.)
SMILES string
CCC(O)CC
InChI
1S/C5H12O/c1-3-5(6)4-2/h5-6H,3-4H2,1-2H3
InChI key
AQIXEPGDORPWBJ-UHFFFAOYSA-N
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Application
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.
Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Classifications
Acute Tox. 4 Oral - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3
Target Organs
Respiratory system
Storage Class Code
3 - Flammable liquids
WGK
WGK 1
Flash Point(F)
93.2 °F - closed cup
Flash Point(C)
34 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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Base catalyzed Mitsunobu reactions as a tool for the synthesis of aryl sec-alkyl ethers
Tetrahedron Letters, 48(15), 2701-2705 (2007)
Synthesis and mesomorphic properties of chiral liquid crystals derived from (S)-lactic acid with 3-pentanol
Liq. Cryst., 29(12), 1575-1580 (2002)
Deoxygenation of biomass-derived feedstocks: oxorhenium-catalyzed deoxydehydration of sugars and sugar alcohols.
Angewandte Chemie (International ed. in English), 51(32), 8082-8086 (2012-07-06)
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This paper reports a QSAR study for predicting the complexation of a large and heterogeneous variety of substances (233 organic compounds) with beta-cyclodextrins (beta-CDs). Several different theoretical molecular descriptors, calculated solely from the molecular structure of the compounds under investigation
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