603627
1-Pentanol-1-13C
99 atom % 13C, 99% (CP)
Synonym(s):
Amyl alcohol-1-13C, Pentyl alcohol-1-13C
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About This Item
Linear Formula:
CH3(CH2)313CH2OH
CAS Number:
Molecular Weight:
89.14
MDL number:
UNSPSC Code:
12352001
PubChem Substance ID:
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isotopic purity
99 atom % 13C
assay
99% (CP)
bp
136-138 °C (lit.)
mp
-78 °C (lit.)
density
0.820 g/mL at 25 °C
mass shift
M+1
SMILES string
CCCC[13CH2]O
InChI
1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3/i5+1
InChI key
AMQJEAYHLZJPGS-HOSYLAQJSA-N
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Pentanol isomers such as 2-methyl-1-butanol and 3-methyl-1-butanol are a useful class of chemicals with a potential application as biofuels. They are found as natural by-products of microbial fermentations from amino acid substrates. However, the production titer and yield of the
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The Journal of chemical physics, 132(16), 164517-164517 (2010-05-06)
Using an efficient Monte Carlo approach known as Aggregation-Volume-bias Monte Carlo with self-adaptive Umbrella Sampling and Histogram Reweighting (AVUS-HR), we obtained the nucleation free energy profile of 1-pentanol at various temperatures from 220 to 360 K. From these profiles, differences
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Alcohol (Fayetteville, N.Y.), 45(1), 1-9 (2010-09-17)
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Angewandte Chemie (International ed. in English), 49(48), 9170-9173 (2010-10-19)
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