591459

Methyl (3S)-(+)-3-(1-methylindol-3-yl)butanoate

optical purity ee: 97% (HPLC), 98%

• Empirical Formula (Hill Notation): C₁₄H₁₇NO₂
• CAS Number: 71711-31-4
• Molecular Weight: 231.29
• MDL number: MFCD05664282
• UNSPSC Code: 12352005
• PubChem Substance ID: 24881341

Properties

• assay: 98%
• optical activity: [α]20/D +7°, c = 1% in chloroform
• optical purity: ee: 97% (HPLC)
• refractive index: n20/D 1.5590 (lit.)
• bp: 344-345 °C (lit.)
• density: 1.093 g/mL at 25 °C (lit.)
• SMILES string: COC(=O)C[C@H](C)c1cn(C)c2ccccc12
• InChI: 1S/C14H17NO2/c1-10(8-14(16)17-3)12-9-15(2)13-7-5-4-6-11(12)13/h4-7,9-10H,8H2,1-3H3/t10-/m0/s1
• InChI key: QIOUBQLAFUPETC-JTQLQIEISA-N

Safety Information

• pictograms: GHS05,GHS07
• signalword: Danger
• hcodes: H302,H315,H317,H318,H335
• pcodes: P261 - P264 - P280 - P301 + P312 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 4 Oral - Eye Dam. 1 - Skin Irrit. 2 - Skin Sens. 1 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 10 - Combustible liquids
• wgk_germany: WGK 3
• flash_point_f: >230.0 °F - closed cup
• flash_point_c: > 110 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter