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- Name Methyl divinyl acetylene
- EINECSN/A
- CAS No. 820-54-2
- Density0.784g/cm3
- PSA0.00000
- LogP1.75190
- SolubilityN/A
- Melting PointN/A
- FormulaC7H8
- Boiling Point99.3°C at 760 mmHg
- Molecular Weight92.1405
- Flash PointN/A
- Transport InformationN/A
- AppearanceN/A
- SafetyModerately toxic by ingestion and intraperitoneal routes. Mildly toxic by inhalation. When heated to decomposition it emits acrid smoke and irritating fumes. See also ACETYLENE COMPOUNDS and ALKYNES.
- Risk CodesN/A
- Molecular Structure
- Hazard SymbolsN/A
- SynonymsN/A
- Article Data21
Methyl divinyl acetylene Chemical Properties
Molecule structure of Methyl divinyl acetylene (CAS NO.820-54-2) :
IUPAC Name: 2-methylhexa-1,5-dien-3-yne
Molecular Weight: 92.13842 g/mol
Molecular Formula: C7H8
Density: 0.784 g/cm3
Boiling Point: 99.3 °C at 760 mmHg
Index of Refraction: 1.453
Molar Refractivity: 31.77 cm3
Molar Volume: 117.3 cm3
Polarizability: 12.59*10-24 cm3
Surface Tension: 25.2 dyne/cm
Enthalpy of Vaporization: 32.46 kJ/mol
Vapour Pressure: 44.3 mmHg at 25 °C
XLogP3-AA: 2.9
Rotatable Bond Count: 1
Exact Mass: 92.0626
MonoIsotopic Mass: 92.0626
Heavy Atom Count: 7
Complexity: 138
Canonical SMILES: CC(=C)C#CC=C
InChI: InChI=1S/C7H8/c1-4-5-6-7(2)3/h4H,1-2H2,3H3
InChIKey of Methyl divinyl acetylene (CAS NO.820-54-2) : JDIZEHGMNIBSPL-UHFFFAOYSA-N
Methyl divinyl acetylene Toxicity Data With Reference
| 1. | orl-rat LDLo:1600 mg/kg | WADTAA Wright Air Development Center, Technical Report, U.S. Air Force. 55-250 (1955),2. | ||
| 2. | ihl-rat LC50:24,500 mg/m3 | GISAAA Gigiena i Sanitariya. 48 (10)(1983),89. | ||
| 3. | ipr-rat LDLo:2000 mg/kg | WADTAA Wright Air Development Center, Technical Report, U.S. Air Force. 55-250 (1955),2. |
Methyl divinyl acetylene Safety Profile
Moderately toxic by ingestion and intraperitoneal routes. Mildly toxic by inhalation. When heated to decomposition it emits acrid smoke and irritating fumes. See also ACETYLENE COMPOUNDS and ALKYNES.
Methyl divinyl acetylene Specification
Methyl divinyl acetylene (CAS NO.820-54-2) is also called 2-Methyl-1,5-hexadiene-3-yne ; 4-01-00-01122 (Beilstein Handbook Reference) ; BRN 1734247 ; 1,5-Hexadien-3-yne, 2-methyl- .
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