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- Name Xylopic acid
- EINECSN/A
- CAS No. 6619-97-2
- Density1.15g/cm3
- PSA63.60000
- LogP4.58170
- SolubilityN/A
- Melting PointN/A
- FormulaC22H32O4
- Boiling Point475.1°C at 760 mmHg
- Molecular Weight360.494
- Flash Point159°C
- Transport InformationN/A
- AppearanceN/A
- SafetyA poison by ingestion and intraperitoneal routes. When heated to decomposition it emits acrid smoke and irritating vapors.
- Risk CodesN/A
- Molecular Structure
- Hazard SymbolsN/A
- SynonymsN/A
Xylopic acid Chemical Properties
Empirical Formula of Xylopic acid (CAS NO.6619-97-2): C22H32O4
Molecular Weight: 360.4871 g/mol
Index of Refraction: 1.547
Density: 1.15 g/cm3
Flash Point: 159 °C
Enthalpy of Vaporization: 80.9 kJ/mol
Boiling Point: 475.1 °C at 760 mmHg
Vapour Pressure: 2.46E-10 mmHg at 25 °C
Structure of Xylopic acid (CAS NO.6619-97-2):
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Canonical SMILES: CC(=O)OC1C(=C)C2CCC3C1(C2)CCC4C3(CCCC4(C)C(=O)O)C
InChI: InChI=1S/C22H32O4/c1-13-15-6-7-17-20(3)9-5-10-21(4,19(24)25)16(20)8-11-22(17,12-15)18(13)26-14(2)23/h15-18H,1,5-12H2,2-4H3,(H,24,25)
InChIKey: AQBQBBLJTDSVLC-UHFFFAOYSA-N
Xylopic acid Toxicity Data With Reference
| 1. | ipr-rat LD50:0.5 ng/kg | JOETD7 Journal of Ethnopharmacology. 77 (2001),165. | ||
| 2. | ipr-rat TDLo:20 mg/kg | JOETD7 Journal of Ethnopharmacology. 77 (2001),165. | ||
| 3. | orl-rat TDLo:50 mg/kg | JOETD7 Journal of Ethnopharmacology. 77 (2001),165. |
Xylopic acid Safety Profile
A poison by ingestion and intraperitoneal routes. When heated to decomposition it emits acrid smoke and irritating vapors.
Xylopic acid Specification
Xylopic acid (CAS NO.6619-97-2) also can be called Kaur-16-en-18-oic acid, 15-(acetyloxy)-, (4.alpha.,15.beta.)- ; and 15-(Acetyloxy)kaur-16-en-18-oic acid .
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