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Methyl dioxolane

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Name

Methyl dioxolane

EINECS 207-841-4
CAS No. 497-26-7 Density 0.97g/cm3
Solubility very soluble SOLVENT Melting Point
Formula C4H8 O2 Boiling Point 82 - 83 C
Molecular Weight 88.11 Flash Point -2 C
Transport Information HAZARD Appearance clear liquid
Safety Moderately toxic by ingestion. Mildly toxic by inhalation. A skin and eye irritant. When heated to decomposition it emits acrid smoke and irritating fumes. Risk Codes 11-36
Molecular Structure Molecular Structure of 497-26-7 (1,3-Dioxolane,2-methyl-) Hazard Symbols 2 (Packing Group: II) UN NO.
Synonyms

2-Methyl-1,3-dioxacyclopentane;2-Methyl-1,3-dioxolane;2-Methyldioxolane;Methyl dioxolane;NSC 5209;

 

Chemistry

Molecule structure of Methyl dioxolane (CAS NO.497-26-7) :

IUPAC Name: 2-methyl-1,3-dioxolane 
Molecular Weight: 88.10512 g/mol
Molecular Formula: C4H8O2 
Density: 0.97 g/cm3 
Boiling Point: 82.4 °C at 760 mmHg
Flash Point: 4 °C
Index of Refraction: 1.394
Molar Refractivity: 21.75 cm3
Molar Volume: 90.7 cm3
Polarizability: 8.62*10-24 cm3
Surface Tension: 27.9 dyne/cm 
Enthalpy of Vaporization: 30.96 kJ/mol
Vapour Pressure: 87.6 mmHg at 25 °C 
log P (octanol-water): 0.110 
Water Solubility: 6.67E+05 mg/L 
Atmospheric OH Rate Constant: 9.40E-12 cm3/molecule-sec 
Storage Temp.: flammables area
Sensitive: moisture sensitive
XLogP3-AA: 0.2
H-Bond Acceptor: 2
Exact Mass: 88.05243
MonoIsotopic Mass: 88.05243
Topological Polar Surface Area: 18.5
Heavy Atom Count: 6
Complexity: 38.8
Canonical SMILES: CC1OCCO1
InChI: InChI=1S/C4H8O2/c1-4-5-2-3-6-4/h4H,2-3H2,1H3
InChIKey: HTWIZMNMTWYQRN-UHFFFAOYSA-N
EINECS: 207-841-4
Product Categories: Dioxanes & Dioxolanes; Dioxolanes

Toxicity Data With Reference

1.    

eye-rbt 5 mg SEV

    AJOPAA    American Journal of Ophthalmology. 29 (1946),1363.
2.    

orl-rat LD50:3000 mg/kg

    JIHTAB    Journal of Industrial Hygiene and Toxicology. 31 (1949),60.

Safety Profile

Moderately toxic by ingestion. A severe eye irritant. When heated to decomposition it emits acrid smoke and irritating fumes.
Hazard Codes: FlammableF, IrritantXi
Risk Statements: 11-36
R11:Highly flammable. 
R36:Irritating to eyes.
Safety Statements: 16-26 
S16:Keep away from sources of ignition. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
RIDADR: UN 1993 3/PG 2
WGK Germany: 2
RTECS: JI3509000
HazardClass: 3
PackingGroup: II

Specification

 Methyl dioxolane (CAS NO.497-26-7) is also called 2-Methyl-1,3-dioxacyclopentane ; 2-Methyl-1,3-dioxolane ; 2-Methyldioxolane ; 2-Methyldioxole ; Methyl-1,3-dioxolane ; Methyldioxolane ; NSC 5209 ; 1,3-Dioxolane, 2-methyl- ; Dioxolane, methyl- . Methyl dioxolane (CAS NO.497-26-7) is clear colorless liquid.

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