-
Name
1-(3-Furanyl)-1-hydroxy-4-pentanone
- EINECS
- CAS No. 34435-70-6
- Density 1.121g/cm3
- Solubility
- Melting Point
- Formula C9H12O3
- Boiling Point 181.7°Cat760mmHg
- Molecular Weight 168.21
- Flash Point 63.7°C
- Transport Information
- Appearance
- Safety Poison by ingestion, intravenous and intraperitoneal routes. When heated to decomposition it emits acrid smoke and fumes. See also KETONES.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 1-Ipomeanol;
- PSA 50.44000
- LogP 1.68220
1-Ipomeanol Chemical Properties
Product Name: 1-Ipomeanol (CAS NO.34435-70-6)
Molecular Formula: C9H12O3
Molecular Weight: 168.21g/mol
Mol File: 34435-70-6.mol
Boiling point: 181.7 °C at 760 mmHg
Flash Point: 63.7 °C
Density: 1.121 g/cm3
Surface Tension: 40.2 dyne/cm
Enthalpy of Vaporization: 44.2 kJ/mol
Vapour Pressure: 0.546 mmHg at 25°C
XLogP3-AA: 0.1
H-Bond Donor: 1
H-Bond Acceptor: 3
Structure Descriptors of 1-Ipomeanol (CAS NO.34435-70-6):
IUPAC Name: 5-furan-3-yl-5-hydroxypentan-2-one
Canonical SMILES: CC(=O)CCC(C1=COC=C1)O
InChI: InChI=1S/C9H12O3/c1-7(10)2-3-9(11)8-4-5-12-6-8/h4-6,9,11H,2-3H2,1H3
InChIKey: IGGLYMZTLQKWGT-UHFFFAOYSA-N
1-Ipomeanol Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 49mg/kg (49mg/kg) | VASCULAR: OTHER CHANGES LUNGS, THORAX, OR RESPIRATION: CHRONIC PULMONARY EDEMA LUNGS, THORAX, OR RESPIRATION: PLEURAL EFFUSION | Biochimica et Biophysica Acta. Vol. 337, Pg. 184, 1974. |
| mouse | LD50 | intravenous | 35mg/kg (35mg/kg) | VASCULAR: OTHER CHANGES LUNGS, THORAX, OR RESPIRATION: CHRONIC PULMONARY EDEMA LUNGS, THORAX, OR RESPIRATION: PLEURAL EFFUSION | Biochimica et Biophysica Acta. Vol. 337, Pg. 184, 1974. |
| mouse | LD50 | oral | 79mg/kg (79mg/kg) | VASCULAR: OTHER CHANGES LUNGS, THORAX, OR RESPIRATION: CHRONIC PULMONARY EDEMA LUNGS, THORAX, OR RESPIRATION: PLEURAL EFFUSION | Biochimica et Biophysica Acta. Vol. 337, Pg. 184, 1974. |
1-Ipomeanol Safety Profile
Poison by ingestion, intravenous and intraperitoneal routes. When heated to decomposition it emits acrid smoke and fumes. See also KETONES.
1-Ipomeanol Specification
1-Ipomeanol ,its CAS NO. is 34435-70-6,the synonyms is 5-(3-Furanyl)-5-hydroxy-2-pentanone ; 5-(3-Furyl)-5-hydroxy-2-pentanone ; BRN 1240274 ; 2-Pentanone, 5-(3-furanyl)-5-hydroxy- (9CI) ; 2-Pentanone, 5-(3-furyl)-5-hydroxy- .
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