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:
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
Related Categories
Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.
signalword
Warning
hcodes
Hazard Classifications
Acute Tox. 4 Inhalation - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
3 - Flammable liquids
wgk_germany
WGK 1
flash_point_f
120.2 °F - closed cup
flash_point_c
49 °C - closed cup
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Kevin R Hadley et al.
The journal of physical chemistry. B, 114(13), 4590-4599 (2010-03-17)
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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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Sheng-Yao Hsueh et al.
Angewandte Chemie (International ed. in English), 49(48), 9170-9173 (2010-10-19)
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