8-Acetylneosolaniol
[CAS# 65041-92-1]

Identification

• Name: 8-Acetylneosolaniol
• Synonyms: [(1S,2R,4S,7R,9R,10R,11S,12S)-4,11-diacetyloxy-10-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl acetate
• Molecular Formula: C₂₁H₂₈O₉
• Molecular Weight: 424.44
• CAS Registry Number: 65041-92-1
• EC Number: 695-083-9
• SMILES: CC1=C[C@@H]2[C@](C[C@@H]1OC(=O)C)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O)OC(=O)C)C)COC(=O)C

Properties

• Solubility: 1271 mg/L (25 ºC water)
• Density: 1.4±0.1 g/cm³, Calc.^*
• Index of Refraction: 1.558, Calc.^*
• Melting point: 181.32 ºC
• Boiling Point: 455.68 ºC, 516.8±50.0 ºC (760 mmHg), Calc.^*
• Flash Point: 174.1±23.6 ºC, Calc.^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software.

Safety Data

• Hazard Symbols: GHS06;GHS07 Danger
• Hazard Statements: H301-H315
• Precautionary Statements: P264-P270-P280-P301+P316-P302+P352-P321-P330-P332+P317-P362+P364-P405-P501

Hazard Classification

Hazard	Class	Category Code	Hazard Statement
Acute toxicity	Acute Tox.	3	H301
Skin irritation	Skin Irrit.	2	H315