6alpha-Hydroxy-ethinylestradiol
[CAS 27521-34-2]

Identification

• Name: 6alpha-Hydroxy-ethinylestradiol
• Synonyms: (6S,8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,6,17-triol
• Molecular Formula: C₂₀H₂₄O₃
• Molecular Weight: 312.40
• CAS Registry Number: 27521-34-2
• EC Number: 641-774-5
• SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)C[C@@H](C4=C3C=CC(=C4)O)O

Properties

• Density: 1.3±0.1 g/cm³, Calc.^*
• Index of Refraction: 1.644, Calc.^*
• Boiling Point: 500.4±50.0 °C (760 mmHg), Calc.^*
• Flash Point: 233.0±24.7 °C, Calc.^*

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

Safety Data

• Hazard Symbols: GHS07;GHS08;GHS09 Danger
• Risk Statements: H302-H350-H361-H400
• Safety Statements: P203-P264-P270-P273-P280-P301+P317-P318-P330-P391-P405-P501

Hazard Classification

Hazard	Class	Category Code	Hazard Statement
Carcinogenicity	Carc.	1B	H350
Reproductive toxicity	Repr.	2	H361
Acute hazardous to the aquatic environment	Aquatic Acute	1	H400
Acute toxicity	Acute Tox.	4	H302