Dimezone S

Molecule structure of Dimezone S (CAS NO.13047-13-7):

IUPAC Name: 4-(Hydroxymethyl)-4-methyl-1-phenylpyrazolidin-3-one 
Molecular Weight: 206.24106 [g/mol]
Molecular Formula: C₁₁H₁₄N₂O₂ 
Index of Refraction: 1.56
Molar Refractivity: 56.16 cm³
Molar Volume: 173.4 cm³
Surface Tension: 44.2 dyne/cm
Density: 1.188 g/cm³ 
Melting Point: 122-126 °C 
Flash Point:  113 °C
Water Solubility: 7.1 g/L (20 ºC)
XLogP3-AA: 1.5
H-Bond Donor: 2
H-Bond Acceptor: 3
Rotatable Bond Count: 2
Tautomer Count: 2
Exact Mass: 206.105528
MonoIsotopic Mass: 206.105528
Topological Polar Surface Area: 52.6
Heavy Atom Count: 15 
Complexity: 251
Canonical SMILES: CC1(CN(NC1=O)C2=CC=CC=C2)CO
InChI: InChI=1S/C11H14N2O2/c1-11(8-14)7-13(12-10(11)15)9-5-3-2-4-6-9/h2-6,14H,7-8H2,1H3,(H,12,15)
InChIKey: DSVIHYOAKPVFEH-UHFFFAOYSA-N
EINECS of Dimezone S (CAS NO.13047-13-7): 235-920-3

Hazard Codes: Xn, Xi
Risk Statements: 43-22-36/37/38 
R43:May cause sensitization by skin contact. 
R22:Harmful if swallowed. 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 37-24-36-26-37/39 
S37:Wear suitable gloves. 
S24:Avoid contact with skin. 
S36:Wear suitable protective clothing. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S37/39:Wear suitable gloves and eye/face protection.
RTECS: UQ8727500

 Dimezone S (CAS NO.13047-13-7) is also named as 1-Phenyl-4-methyl-4-hydroxymethyl-3-pyrazolidone ; 3-Pyrazolidinone, 4-(hydroxymethyl)-4-methyl-1-phenyl- ; 4-(Hydroxymethyl)-4-methyl-1-phenyl-3-pyrazolidinone ; 4-Hydroxymethyl-4-methyl-1-phenyl-3-pyrazolidone ; 3-Pyrazolidinone, 4-(hydroxymethyl)-4-methyl-1-phenyl- 4-(Hydroxymethyl)-4-methyl-1-phenylpyrazolidin-3-one . Dimezone S (CAS NO.13047-13-7) is cream to yellow crystalline powder.