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24902-02-1

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Basic Information
CAS No.: 24902-02-1
Name: 1,4-Benzodioxane-2-carboxylic acid propyl ester
Molecular Structure:
Molecular Structure of 24902-02-1 (1,4-Benzodioxane-2-carboxylic acid propyl ester)
Formula: C12H14 O4
Molecular Weight: 222.26
Synonyms: 1,4-Benzodioxan-2-carboxylicacid, propyl ester (8CI); Amlure; Propyl 1,4-benzodioxan-2-carboxylate
Density: 1.176g/cm3
Boiling Point: 303.2°C at 760 mmHg
Flash Point: 130.9°C
Safety: Low toxicity by ingestion. When heated to decomposition it emits acrid smoke and irritating vapors.
PSA: 44.76000
LogP: 1.77960
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Chemistry

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

Toxicity Data With Reference

1.    

orl-rat LD50:7450 mg/kg

     SPEADM    Special Publication of the Entomological Society of America. 78-1 (1978),52.

Safety Profile

Low toxicity by ingestion. When heated to decomposition it emits acrid smoke and irritating vapors.

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) .