Molecule structure of 3,9-Divinylspirobi(m-dioxane) (CAS NO.78-19-3) :
IUPAC Name: 3,9-bis(ethenyl)-2,4,8,10-tetraoxaspiro[5.5]undecane
Molecular Weight: 212.24234 g/mol
Molecular Formula: C11H16O4
Density: 1.11 g/cm3
Melting Point: 43-46 °C(lit.)
Boiling Point: 284.4 °C at 760 mmHg
Flash Point: 106.6 °C
Index of Refraction: 1.493
Molar Refractivity: 55.35 cm3
Molar Volume: 190.2 cm3
Polarizability: 21.94*10-24 cm3
Surface Tension: 35.2 dyne/cm
Enthalpy of Vaporization: 50.24 kJ/mol
Vapour Pressure: 0.00512 mmHg at 25 °C
XLogP3-AA: 0.8
H-Bond Acceptor: 4
Rotatable Bond Count: 2
Exact Mass: 212.104859
MonoIsotopic Mass: 212.104859
Topological Polar Surface Area: 36.9
Heavy Atom Count: 15
Complexity: 206
Canonical SMILES: C=CC1OCC2(CO1)COC(OC2)C=C
InChI: InChI=1S/C11H16O4/c1-3-9-12-5-11(6-13-9)7-14-10(4-2)15-8-11/h3-4,9-10H,1-2,5-8H2
InChIKey: OOXMQACSWCZQLX-UHFFFAOYSA-N
EINECS: 201-092-7
Product Categories: Dioxanes;Dioxanes & Dioxolanes;Acyclic;Alkenes;Organic Building Blocks
1. | orl-rat LD50:4066 mg/kg | AIHAAP American Industrial Hygiene Association Journal. 30 (1969),470. | ||
2. | ivn-mus LD50:320 mg/kg | CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) NX#01186 . | ||
3. | skn-rbt LD50:9908 mg/kg | AIHAAP American Industrial Hygiene Association Journal. 30 (1969),470. |
Poison by intravenous route. Mildly toxic by ingestion and skin contact. When heated to decomposition it emits acrid smoke and irritating fumes.
WGK Germany: 2
RTECS: XF0875000
3,9-Divinylspirobi(m-dioxane) (CAS NO.78-19-3) is also called 3,9-Divinyl-2,4,8,10-tetraoxaspiro(5.5)undecane ; 5-19-11-00375 (Beilstein Handbook Reference) ; AI3-24999 ; Acrolein pentaerythritol bisacetal ; Acrolein, cyclic diacetal with pentaerythritol ; Acrolein, cyclic neopentanetetrayl acetal ; Acrolein-pentaerythritol dicyclic acetal ; BRN 0149330 ; Diallylidene pentaerythritol ; NSC 7585 ; Pentaerythritol diacrolein acetal ; 2,4,8,10-Tetraoxaspiro(5,5)undecane, 3,9-diethenyl- (9CI) ; 2,4,8,10-Tetraoxaspiro(5.5)undecane, 3,9-divinyl- . 3,9-Divinylspirobi(m-dioxane) (CAS NO.78-19-3) is white crystals or crystalline mass.
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