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91648-24-7

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Basic Information
CAS No.: 91648-24-7
Name: 1,3-Propanediol, 2,2-bis(hydroxymethyl)-, allyl ether
Molecular Structure:
Molecular Structure of 91648-24-7 (1,3-Propanediol, 2,2-bis(hydroxymethyl)-, allyl ether)
Formula: C8H16O4
Molecular Weight: 176.2102
Synonyms: 1,3-Propanediol,2,2-bis(hydroxymethyl)-, allyl ether;
EINECS: 293-883-9
Density: 1.139 g/cm3
Boiling Point: 343.3 °C at 760 mmHg
Flash Point: 161.4 °C
Solubility: 3.49g/L at 20℃
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-27-28-36
Transport Information: 200kgs
PSA: 69.92000
LogP: -0.84770
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Chemistry

Structure of Allyl pentaerythritol (CAS NO.91648-24-7):

IUPAC Name: 2-(Hydroxymethyl)-2-(prop-2-enoxymethyl)propane-1,3-diol
Molecular Formula: C8H16O4
Molar mass: 176.2102 g/mol
Density: 1.139 g/cm3
Flash Point: 161.4 °C
Index of Refraction: 1.495
Boiling Point: 343.3 °C at 760 mmHg
Vapour Pressure: 4.58E-06 mmHg at 25 °C 
Index of Refraction: 1.495
Molar Refractivity: 45.15 cm3
Molar Volume: 154.6 cm3
Surface Tension: 46.7 dyne/cm
XLogP3-AA: -1.2
H-Bond Donor: 3
H-Bond Acceptor: 4
Rotatable Bond Count: 7
Exact Mass: 176.104859
MonoIsotopic Mass: 176.104859
Topological Polar Surface Area: 69.9
Heavy Atom Count: 12 
Canonical SMILES: C=CCOCC(CO)(CO)CO
InChI: InChI=1S/C8H16O4/c1-2-3-12-7-8(4-9,5-10)6-11/h2,9-11H,1,3-7H2
InChIKey: RFIMISVNSAUMBU-UHFFFAOYSA-N
EINECS: 293-883-9
Product Categories of Allyl pentaerythritol (CAS NO.91648-24-7): Allyl Monomers; Monomers; Polymer Science

Toxicity Data With Reference

1.    

mic-sat 1670 µLg/plate

     EPASR*    United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. (U.S. Environmental Protection Agency, 401M St., S.W., Washington, DC 20460) 8EHQ-0992-6760 .

Safety Profile

Hazard Codes: IrritantXi
Risk Statements 36/37/38 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements 26-27-28-36 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S27:Take off immediately all contaminated clothing. 
S28:After contact with skin, wash immediately with plenty of soap-suds. 
S36:Wear suitable protective clothing.
RTECS TY3339500
Mutation data reported. When heated to decomposition it emits acrid smoke and irritating vapors.

Specification

 Allyl pentaerythritol (CAS NO.91648-24-7) also can be called 1,3-Propanediol, 2,2-bis(hydroxymethyl)-, allyl ether .