-
Name
1,4-Ipomeadiol
- EINECS
- CAS No. 53011-73-7
- Density 1.132g/cm3
- Solubility
- Melting Point
- Formula C9H14 O3
- Boiling Point 311.8°Cat760mmHg
- Molecular Weight 170.23
- Flash Point 142.4°C
- Transport Information
- Appearance
- Safety Poison by ingestion, intravenous and intraperitoneal routes. When heated to decomposition it emits acrid smoke and fumes.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 1,4-Ipomeadiol
- PSA 53.60000
- LogP 0.95390
1,4-Ipomeadiol Chemical Properties
Product Name: 1,4-Ipomeadiol
CAS Registry Number: 53011-73-7
Synonyms: 1,4-Ipomeadiol ; 1-(3-Furanyl)-2,4-pentanediol
Systematic Name: 1-(3-Furanyl)-1,4-pentanediol ; 2,4-Pentanediol, 1-(3-furanyl)-
IUPAC Name: 1-furan-3-ylpentane-2,4-diol
Molecular Weight: 170.20566 [g/mol]
Molecular Formula: C9H14O3
XLogP3-AA: 0.7
H-Bond Donor: 2
H-Bond Acceptor: 3
Surface Tension: 43.2 dyne/cm
Density: 1.132 g/cm3
Flash Point: 142.4 °C
Enthalpy of Vaporization: 58.36 kJ/mol
Boiling Point: 311.8 °C at 760 mmHg
Vapour Pressure: 0.000236 mmHg at 25°C
Following is the molecular structure of 1,4-Ipomeadiol (CAS NO.53011-73-7 ) is:
1,4-Ipomeadiol Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 67mg/kg (67mg/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 | 68mg/kg (68mg/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 | 104mg/kg (104mg/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. |
1,4-Ipomeadiol Safety Profile
Poison by ingestion, intravenous and intraperitoneal routes. When heated to decomposition it emits acrid smoke and fumes.
1,4-Ipomeadiol Specification
Descriptors computed from structure, you can know some information about 1,4-Ipomeadiol (CAS NO.53011-73-7 ) :
Canonical SMILES: CC(CC(CC1=COC=C1)O)O
InChI: InChI=1S/C9H14O3/c1-7(10)4-9(11)5-8-2-3-12-6-8/h2-3,6-7,9-11H,4-5H2,1H3
InChIKey: VTUSNBRLKKKEAC-UHFFFAOYSA-N
Exact Mass: 170.094294
MonoIsotopic Mass: 170.094294
Topological Polar Surface Area: 53.6
Heavy Atom Count: 12
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