156019
2,4-Pentanediol
98%
Synonym(s):
1,3-Dimethylpropane-1,3-diol, 2,4-Amylene glycol, 2,4-Dihydroxypentane
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About This Item
Linear Formula:
CH3CH(OH)CH2CH(OH)CH3
CAS Number:
Molecular Weight:
104.15
Beilstein:
969186
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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Quality Level
Assay
98%
form
liquid
refractive index
n20/D 1.435 (lit.)
bp
201-202 °C (lit.)
density
0.95 g/mL at 25 °C (lit.)
SMILES string
CC(O)CC(C)O
InChI
1S/C5H12O2/c1-4(6)3-5(2)7/h4-7H,3H2,1-2H3
InChI key
GTCCGKPBSJZVRZ-UHFFFAOYSA-N
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Application
2,4-Pentanediol was used in the synthesis of chelated multinuclear complexes.
Storage Class Code
10 - Combustible liquids
WGK
WGK 2
Flash Point(F)
213.8 °F - closed cup
Flash Point(C)
101.00 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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Katsumasa Kamiya et al.
The journal of physical chemistry. A, 116(4), 1168-1175 (2012-01-10)
We report ab initio molecular dynamics calculations based on density functional theory performed on an intramolecular [2 + 2] cycloaddition between ketene and olefin linked with a 2,4-pentanediol (PD) tether. We find that the encounter of the ketene and olefin
P W Tas et al.
Biochimica et biophysica acta, 1026(1), 40-42 (1990-07-09)
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Eric J Bierschenk et al.
Inorganic chemistry, 50(23), 12126-12132 (2011-11-08)
When 2,4-pentanediol (2,4-H(2)pd) is deprotonated, the resulting dianion (2,4-pd) serves as a type of "hybrid" ligand, i.e., an alkoxide that possesses structural features of a β-diketonate. 2,4-Pentanediol reacts with Al(O-s-Bu)(3) and Zr(O-i-Pr)(4) to form chelated multinuclear complexes. The aluminum-containing product
Jun-Ichi Matsuo et al.
Organic letters, 12(10), 2294-2297 (2010-04-23)
Ketones and acyl silanes were reduced to the corresponding alcohols by a simple procedure employing anti-1,3-diol and a catalytic amount (5 mol %) of 2,4-dinitrobenzenesulfonic acid in benzene at reflux. Asymmetric induction reached up to >99% ee when a chiral
Belén Martín-Matute et al.
Chemistry (Weinheim an der Bergstrasse, Germany), 12(23), 6053-6061 (2006-06-27)
Highly efficient synthesis of enantiopure diacetates of 2,4-pentanediol and 2,5-hexanediol starting from commercially available mixtures of the diols (dl/meso approximately 1:1) has been realized by combining a fast ruthenium-catalyzed epimerization with an enzymatic transesterification. The in situ coupling of these
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