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603627

Sigma-Aldrich

1-Pentanol-1-13C

99 atom % 13C, 99% (CP)

Sinónimos:

Amyl alcohol-1-13C, Pentyl alcohol-1-13C

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About This Item

Fórmula lineal:
CH3(CH2)313CH2OH
Número de CAS:
58454-11-8
Peso molecular:
89.14
MDL number:
MFCD00673663
UNSPSC Code:
12352001
PubChem Substance ID:
329758907

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

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.

pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Warning

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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Certificados de análisis (COA)

Lot/Batch Number
TP0427

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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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