09655

2-(3-Methylbutyryl)-5,5-dimethyl-1,3-cyclohexandione

≥99.0% (GC)

• Synonym(s): 2-Isovaleryldimedone, 5,5-Dimethyl-2-(3-methylbutyryl)-1,3-cyclohexanedione, Ddiv
• Empirical Formula (Hill Notation): C₁₃H₂₀O₃
• CAS Number: 172611-72-2
• Molecular Weight: 224.30
• UNSPSC Code: 12352115
• NACRES: NA.22
• PubChem Substance ID: 329748785
• MDL number: MFCD01862890
• Beilstein/REAXYS Number: 3275155

Properties

• Quality Segment: 200
• assay: ≥99.0% (GC)
• refractive index: n20/D 1.498
• density: 1.027 g/mL at 20 °C (lit.)
• application(s): peptide synthesis
• functional group: ketone
• SMILES string: CC(C)CC(=O)C1C(=O)CC(C)(C)CC1=O
• InChI: 1S/C13H20O3/c1-8(2)5-9(14)12-10(15)6-13(3,4)7-11(12)16/h8,12H,5-7H2,1-4H3
• InChI key: HNPWTDUZIXAJSA-UHFFFAOYSA-N

Description

Other Notes

Amine protecting group which is orthogonal to Fmoc, Boc and tert-butyl protections; selective cleavage with 2% hydrazine in DMF.

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H315,H319,H335
• pcodes: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 10 - Combustible liquids
• wgk: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: Eyeshields, Gloves, type ABEK (EN14387) respirator filter