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287111-09-5

287111-09-5 Structure

287111-09-5 Structure
IdentificationBack Directory
[Name]

Octanoic acid-7,8-13C2
[CAS]

287111-09-5
[Synonyms]

Octanoic acid-7,8-13C2
[Molecular Formula]

C8H16O2
[MOL File]

287111-09-5.mol
[Molecular Weight]

146.2
Chemical PropertiesBack Directory
[Melting point ]

16 °C (lit.)
[Boiling point ]

237 °C (lit.)
[density ]

0.929±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
[InChI]

1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)/i1+1,2+1
[InChIKey]

WWZKQHOCKIZLMA-ZDOIIHCHSA-N
[SMILES]

[13CH3][13CH2]CCCCCC(O)=O
Safety DataBack Directory
[WGK Germany ]

WGK 1
[Storage Class]

8A - Combustible corrosive hazardous materials
[Hazard Classifications]

Aquatic Chronic 3
Eye Dam. 1
Skin Corr. 1C
Hazard InformationBack Directory
[Uses]

- High-resolution NMR spectroscopy
- Metabolomic profiling and pathway analysis
- Stable Isotope probing in Environmental microbiology
- Acid-catalyzed reaction mechanism studies
287111-09-5 suppliers list
Company Name: Merck KGaA  
Telephone: 21-20338288
Website: www.sigmaaldrich.cn
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