Catalogue Number: AI399
2-Acetyl-4-tetrahydroxybutyl imidazole
1-[5-[(1R,2S,3R)-1,2,3,4-Tetrahydroxybutyl]-1H-imidazol-2-yl]-ethanone, THI

Categories
Properties
- CAS Number
- 94944-70-4
- Molecular Formula
- C9H14N2O5
- Molecular Weight
- 230.22
- Chemical Purity
- Min. 98% [1H-NMR]
- Appearance
- Off-White Crystalline Solid
- Melting Point
- 232-235 °C (dec.)
- Solubility
- H2O (hot)
Regulatory
- SDS
- SDS PDF (New Window)
- Search for COA
-
- DSL Status (Canada)
- None
- TSCA Certification (United States)
- Negative Certification
- RTECS Number
- N/A
Storage & Shipping
- Storage
- Store at 0 to 8 °C.
- Shipping Conditions
- Ambient Temperature
- Tariff Code (United States)
- 2940006000
Safety
- Signal Word
- Warning
- Pictogram
-
- GHS Classification
- Acute Toxicity, Oral (Category 4)
- Hazard Statements
- H302: Harmful if swallowed
- Precautionary Statements
-
P264: Wash skin thoroughly after handling.
P301 + P312 + P330: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell. Rinse mouth.
Search Terms
IUPAC Name
1-{4-[(1R,2S,3R)-1,2,3,4-Tetrahydroxybutyl]-1H-imidazol-2-yl}-1-ethanone
InChI
InChI=1S/C9H14N2O5/c1-4(13)9-10-2-5(11-9)7(15)8(16)6(14)3-12/h2,6-8,12,14-16H,3H2,1H3,(H,10,11)/t6-,7-,8-/m1/s1
InChI Key
CQSIXFHVGKMLGQ-BWZBUEFSSA-N
Smiles
O[C@@H]([C@@H]([C@@H](CO)O)O)C=1N=C(NC1)C(C)=O