Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

2-[3-(1-Cyano-1-methylethyl)-5-(hydroxymethyl)phenyl]-2-methylpropanenitrile

Related Products

Hot Products

Name

2-[3-(1-Cyano-1-methylethyl)-5-(hydroxymethyl)phenyl]-2-methylpropanenitrile

EINECS N/A
CAS No. 120511-88-8 Density 1.084 g/cm3
PSA 67.81000 LogP 2.78126
Solubility N/A Melting Point 150-160 °C
Formula C15H18N2O Boiling Point 382.3 °C at 760 mmHg
Molecular Weight 242.321 Flash Point 185 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 120511-88-8 (5-(Hydroxymethyl)-alpha,alpha,alpha',alpha'-tetramethyl-1,3-benzenediacetonitrile) Hazard Symbols N/A
Synonyms

2-[3-(Cyanodimethylmethyl)-5-hydroxymethylphenyl]-2-methylpropionitrile;1,3-Benzenediacetonitrile,5-(hydroxymethyl)-a,a,a',a'-tetramethyl- (9CI);

Article Data 3

2-[3-(1-Cyano-1-methylethyl)-5-(hydroxymethyl)phenyl]-2-methylpropanenitrile Specification

The 2-[3-(1-Cyano-1-methylethyl)-5-(hydroxymethyl)phenyl]-2-methylpropanenitrile is an organic compound with the formula C15H18N2O. The systematic name of this chemical is 2,2'-[5-(hydroxymethyl)benzene-1,3-diyl]bis(2-methylpropanenitrile). With the CAS registry number 120511-88-8, it is also named as 5-(Hydroxymethyl)-alpha,alpha,alpha',alpha'-tetramethyl-1,3-benzenediacetonitrile.

Physical properties about 2-[3-(1-Cyano-1-methylethyl)-5-(hydroxymethyl)phenyl]-2-methylpropanenitrile are: (1)ACD/LogP: 0.89; (2)ACD/LogD (pH 5.5): 0.89; (3)ACD/LogD (pH 7.4): 0.89; (4)ACD/BCF (pH 5.5): 2.79; (5)ACD/BCF (pH 7.4): 2.79; (6)ACD/KOC (pH 5.5): 72.62; (7)ACD/KOC (pH 7.4): 72.62; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 67.81 Å2; (12)Index of Refraction: 1.532; (13)Molar Refractivity: 69.3 cm3; (14)Molar Volume: 223.3 cm3; (15)Polarizability: 27.47×10-24cm3; (16)Surface Tension: 43.4 dyne/cm; (17)Density: 1.084 g/cm3; (18)Flash Point: 185 °C; (19)Enthalpy of Vaporization: 66.53 kJ/mol; (20)Boiling Point: 382.3 °C at 760 mmHg; (21)Vapour Pressure: 1.58E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OCc1cc(cc(c1)C(C)(C)C#N)C(C)(C)C#N
(2)InChI: InChI=1/C15H18N2O/c1-14(2,9-16)12-5-11(8-18)6-13(7-12)15(3,4)10-17/h5-7,18H,8H2,1-4H3
(3)InChIKey: PLEAQICJSGOGID-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C15H18N2O/c1-14(2,9-16)12-5-11(8-18)6-13(7-12)15(3,4)10-17/h5-7,18H,8H2,1-4H3
(5)Std. InChIKey: PLEAQICJSGOGID-UHFFFAOYSA-N

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 120511-88-8