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1173023-77-2

1173023-77-2 Structure

1173023-77-2 Structure
IdentificationBack Directory
[Name]

tert-Amyl-13C3 methyl ether
[CAS]

1173023-77-2
[Synonyms]

Butane-1,4-13C2, 2-methoxy-2-(methyl-13C)-
tert-Amyl-13C3 methyl ether
[Molecular Formula]

C6H14O
[MOL File]

1173023-77-2.mol
[Molecular Weight]

105.15
Chemical PropertiesBack Directory
[Boiling point ]

85-86 °C (lit.)
[density ]

0.763±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
[InChI]

1S/C6H14O/c1-5-6(2,3)7-4/h5H2,1-4H3/i1+1,2+1,3+1
[InChIKey]

HVZJRWJGKQPSFL-VMIGTVKRSA-N
[SMILES]

COC([13CH3])([13CH3])C[13CH3]
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Acute Tox. 4 Oral
Flam. Liq. 2
STOT SE 3
Hazard InformationBack Directory
[Uses]

- High-resolution NMR spectroscopy
- Metabolomic profiling and pathway analysis
- Stable Isotope probing in Environmental microbiology
- Chemical synthesis of labeled compounds
1173023-77-2 suppliers list
Company Name: Merck KGaA  
Telephone: 21-20338288
Website: www.sigmaaldrich.cn
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