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600032

Sigma-Aldrich

Allyl alcohol-2-13C

99 atom % 13C

Synonym(s):

2-Propen-2-13C-1-ol

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About This Item

Linear Formula:
H2C=13CHCH2OH
CAS Number:
116546-14-6
Molecular Weight:
59.07
MDL number:
MFCD04118136
UNSPSC Code:
12352002
PubChem Substance ID:
329758727

isotopic purity

99 atom % 13C

Assay

99% (CP)

bp

96-98 °C (lit.)

mp

-129 °C (lit.)

density

0.869 g/mL at 25 °C

mass shift

M+1

SMILES string

OC[13CH]=C

InChI

1S/C3H6O/c1-2-3-4/h2,4H,1,3H2/i2+1

InChI key

XXROGKLTLUQVRX-VQEHIDDOSA-N

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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.

Signal Word

Danger

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Aquatic Acute 1 - Aquatic Chronic 1 - Eye Irrit. 2 - Flam. Liq. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

71.6 °F - closed cup

Flash Point(C)

22 °C - closed cup

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Certificates of Analysis (COA)

Lot/Batch Number
CX0078
TP1349

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Lena Reimann et al.
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Proceedings of the National Academy of Sciences of the United States of America, 116(2), 546-555 (2018-12-26)
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