10-Deacetylbaccatin III , Analysis of standard products, ≥98% , 32981-86-5

Synonym(s):
10-Deacetylbaccatin III

CAS NO.：32981-86-5

Empirical Formula: C29H36O10

Molecular Weight: 544.59

MDL number: MFCD00132913

EINECS: 418-680-6

PRODUCT Properties

• Melting point: 231-236 °C
• Boiling point: 717℃
• alpha: -44.5 º (c=1, methanol 25 ºC)
• Density: 1.2007 (rough estimate)
• refractive index: 1.5376 (estimate)
• Flash point: >110°(230°F)
• storage temp.: Sealed in dry,Room Temperature
• solubility: methanol: soluble, clear, colorless (5 mg + 0.1 mL MeOH)
• form: Powder
• pka: 11.50±0.70(Predicted)
• color: white
• Water Solubility: INSOLUBLE
• InChIKey: YWLXLRUDGLRYDR-IYNRKYTHSA-N
• SMILES: O1C[C@@]2(OC(C)=O)[C@@]3([H])[C@H](OC(=O)C4=CC=CC=C4)[C@@]4(O)C(C)(C)C(=C(C)[C@@H](O)C4)[C@@H](O)C(=O)[C@]3(C)[C@@H](O)C[C@@]12[H]
• LogP: 0.156 (est)
• CAS DataBase Reference: 32981-86-5(CAS DataBase Reference)

Description and Uses

10-Deacetylbaccatin III is a intermediate in the synthesis of Taxol and derivatives

Safety

• Symbol(GHS): GHS07,GHS08
• Signal word: Danger
• Hazard statements: H315-H319-H335-H340-H350-H373
• Precautionary statements: P201-P302+P352-P305+P351+P338-P308+P313
• Hazard Codes: T
• Risk Statements: 23/24/25
• Safety Statements: 45-38-36/37/39-28A-24/25
• RIDADR: 1544
• WGK Germany: 3
• HazardClass: 6.1(b)
• PackingGroup: III
• HS Code: 29329990