Welcome to our website!

Product Catalog

Rapid Product Index

Recommended Products

Friend Links

  • Benzaldehyde,4-(2-methylpropoxy)
Name:Benzaldehyde,4-(2-methylpropoxy)
CAS No:18962-07-7

PRODUCT DESCRIPTION

【Name】
Benzaldehyde,4-(2-methylpropoxy)-
【Iupac name】
4-(2-methylpropoxy)benzaldehyde
【CAS Registry number】
18962-07-7
【Synonyms】
Benzaldehyde,p-isobutoxy- (6CI,8CI)
4-(2-Methylpropoxy)benzaldehyde
4-(2-Methylpropyloxy)benzaldehyde
NSC 68517
p-Isobutoxybenzaldehyde
【Molecular Formula】
C11H14O2 (Products with the same molecular formula)
【Molecular Weight】
178.2277
【Inchi】
InChI=1/C11H14O2/c1-9(2)8-13-11-5-3-10(7-12)4-6-11/h3-7,9H,8H2,1-2H3
【Canonical SMILES】
CC(C)COC1=CC=C(C=C1)C=O
【MOL File】
18962-07-7.mol

Chemical and Physical Properties

【Appearance】
Light yellow powder
【Density】
1.018g/cm3
【Boiling Point】
280.8°Cat760mmHg
【Vapour】
0.0037mmHg at 25°C
【Refractive Index】
1.523
【Flash Point】
118.9°C
【Computed Properties】
Molecular Weight:178.22766 [g/mol]
Molecular Formula:C11H14O2
XLogP3:3.1
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:4
Exact Mass:178.09938
MonoIsotopic Mass:178.09938
Topological Polar Surface Area:26.3
Heavy Atom Count:13
Formal Charge:0
Complexity:146
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:1
Effective Rotor Count:4
Conformer Sampling RMSD:0.6
CID Conformer Count:6

Safety and Handling

【Hazard Codes】
Xi
【HazardClass】
IRRITANT

RELATED PRODUCTS