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| Name |
Propyl 1,4-benzodioxan-2-carboxylate |
EINECS | N/A |
| CAS No. | 24902-02-1 | Density | 1.176g/cm3 |
| PSA | 44.76000 | LogP | 1.77960 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C12H14 O4 | Boiling Point | 303.2°C at 760 mmHg |
| Molecular Weight | 222.26 | Flash Point | 130.9°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Low toxicity by ingestion. When heated to decomposition it emits acrid smoke and irritating vapors. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
1,4-Benzodioxan-2-carboxylicacid, propyl ester (8CI); Amlure; Propyl 1,4-benzodioxan-2-carboxylate |
Propyl 1,4-benzodioxan-2-carboxylate Chemical Properties
Molecule structure of Propyl 1,4-benzodioxan-2-carboxylate (CAS NO.24902-02-1):
IUPAC Name: Propyl 2,3-dihydro-1,4-benzodioxine-2-carboxylate
Molecular Weight: 222.23716 g/mol
Molecular Formula: C12H14O4
Density: 1.176 g/cm3
Boiling Point: 303.2 °C at 760 mmHg
Flash Point: 130.9 °C
Index of Refraction: 1.517
Molar Refractivity: 57.24 cm3
Molar Volume: 188.9 cm3
Polarizability: 22.69×10-24 cm3
Surface Tension: 40.5 dyne/cm
Enthalpy of Vaporization: 54.34 kJ/mol
Vapour Pressure: 0.000946 mmHg at 25 °C
XLogP3: 2.6
H-Bond Acceptor: 4
Rotatable Bond Count: 4
Exact Mass: 222.089209
MonoIsotopic Mass: 222.089209
Topological Polar Surface Area: 44.8
Complexity: 241
Canonical SMILES: CCCOC(=O)C1COC2=CC=CC=C2O1
InChI: InChI=1S/C12H14O4/c1-2-7-14-12(13)11-8-15-9-5-3-4-6-10(9)16-11/h3-6,11H,2,7-8H2,1H3
InChIKey of Propyl 1,4-benzodioxan-2-carboxylate (CAS NO.24902-02-1): GIWVWMBTCWHKMO-UHFFFAOYSA-N
Propyl 1,4-benzodioxan-2-carboxylate Toxicity Data With Reference
| 1. | orl-rat LD50:7450 mg/kg | SPEADM Special Publication of the Entomological Society of America. 78-1 (1978),52. |
Propyl 1,4-benzodioxan-2-carboxylate Safety Profile
Low toxicity by ingestion. When heated to decomposition it emits acrid smoke and irritating vapors.
Propyl 1,4-benzodioxan-2-carboxylate Specification
Propyl 1,4-benzodioxan-2-carboxylate (CAS NO.24902-02-1) is also named as AI3-33951 ; Amlure ; 1,4-Benzodioxan-2-carboxylic acid, propyl ester ; 1,4-Benzodioxin-2-carboxylic acid, 2,3-dihydro-, propyl ester (9CI) .
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