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About This Item
Linear Formula:
13C6H513CO13CH3
Molecular Weight:
128.09
UNSPSC Code:
12352115
PubChem Substance ID:
MDL number:
Isotopic purity:
99 atom % 13C
Assay:
99% (CP)
Mass shift:
M+8
isotopic purity
99 atom % 13C
assay
99% (CP)
bp
202 °C (lit.)
mp
19-20 °C (lit.)
density
1.097 g/mL at 25 °C
mass shift
M+8
SMILES string
[13CH3][13C](=O)[13c]1[13cH][13cH][13cH][13cH][13cH]1
InChI
1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1
InChI key
KWOLFJPFCHCOCG-LLXNCONNSA-N
signalword
Warning
hcodes
Hazard Classifications
Acute Tox. 4 Oral - Eye Irrit. 2
Storage Class
10 - Combustible liquids
wgk
WGK 1
flash_point_f
168.8 °F - closed cup
flash_point_c
76.00 °C - closed cup
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