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B85307 Sigma-Aldrich

2,3-Butanedione

97%

Synonym: Biacetyl, Diacetyl

  • CAS Number 431-03-8

  • Linear Formula CH3COCOCH3

  • Molecular Weight 86.09

  •  Beilstein/REAXYS Number 605398

  •  EC Number 207-069-8

  •  MDL number MFCD00008756

  •  PubChem Substance ID 24892076

  •  NACRES NA.22

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Properties

Related Categories Building Blocks, C3 to C6, Carbonyl Compounds, Chemical Synthesis, Ketones,
Quality Level   100
vapor density   3 (vs air)
vapor pressure   52.2 mmHg ( 20 °C)
assay   97%
autoignition temp.   345 °C
refractive index   n20/D 1.394 (lit.)
bp   88 °C (lit.)
density   0.981 g/mL (lit.)
storage temp.   2-8°C
SMILES string   CC(=O)C(C)=O
InChI   1S/C4H6O2/c1-3(5)4(2)6/h1-2H3
InChI key   QSJXEFYPDANLFS-UHFFFAOYSA-N
Gene Information   human ... ACHE(43), BCHE(590), CES1(1066)

Description

Application

Inactivates aminopeptidase-N. Cyclocondensation with amines has been used to form triazine and pteridine ring systems. Also used as a precursor to α-diones.

Packaging

5, 100, 500 mL in glass bottle

Safety & Documentation

Safety Information

Symbol 
Signal word 
Danger
Target organs 
Respiratory system
RIDADR 
UN 2346 3 / PGII
WGK Germany 
WGK 2
RTECS 
EK2625000
Flash Point(F) 
44.6 °F - closed cup
Flash Point(C) 
7 °C - closed cup

Documents

Certificate of Analysis (COA)

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Certificate of Origin (COO)

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Meet Synthia - Retrosynthesis Sofware
Protocols & Articles

Articles

GC Analysis of Volatiles in Roasted Coffee Beans on Omegawax® after SPME using a 50/30 μm DVB/Carboxen/PDMS Fiber

From our library of Articles, Sigma-Aldrich presents GC Analysis of Volatiles in Roasted Coffee Beans on Omegawax® after SPME using a 50/30 μm DVB/Carboxen/PDMS Fiber
Keywords: Chromatography, Gas chromatography, Mass spectrometry, Purification, Size-exclusion chromatography, Solid phase microextractions

MSMLS Online Plate Map

Metabolite descriptors included with the software download upon purchase of the product include: Name, Parent CID, molecular formula, molecular weight, CAS, ChEBI, HMDB ID, PubChem Compound and Subst...
Keywords: Mass spectrometry, Metabolites

Peer-Reviewed Papers
15

References

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