Butanoic acid,2-eth...

Butanoic acid,2-ethyl-, 1-methyl-2-[2-(1-methylpropyl)phenoxy]ethyl ester(CAS No. 5460-44-6)

Butanoic acid,2-ethyl-, 1-methyl-2-[2-(1-methylpropyl)phenoxy]ethyl ester(CAS No. 5460-44-6)

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Butanoic acid,2-ethyl-, 1-methyl-2-[2-(1-methylpropyl)phenoxy]ethyl ester 5460-44-6 98%

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  • Appearance:Solid
  • Application:Organic Chemicals
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Details:

【Name】
Butanoic acid,2-ethyl-, 1-methyl-2-[2-(1-methylpropyl)phenoxy]ethyl ester
【CAS Registry number】
5460-44-6
【Synonyms】
NSC 21767
【Molecular Formula】
C19H30 O3 (Products with the same molecular formula)
【Molecular Weight】
306.4397
【Inchi】
InChI=1/C19H30O3/c1-6-14(4)17-11-9-10-12-18(17)21-13-15(5)22-19(20)16(7-2)8-3/h9-12,14-16H,6-8,13H2,1-5H3
【Canonical SMILES】
CCC(C)C1=CC=CC=C1OCC(C)OC(=O)C(CC)CC
Chemical and Physical Properties
【Density】
0.968g/cm3
【Boiling Point】
382.4°C at 760 mmHg
【Refractive Index】
1.484
【Flash Point】
160.8°C
【Computed Properties】
Molecular Weight:306.4397 [g/mol]
Molecular Formula:C19H30O3
XLogP3-AA:5.6
H-Bond Donor:0
H-Bond Acceptor:3
Rotatable Bond Count:10
Exact Mass:306.219495
MonoIsotopic Mass:306.219495
Topological Polar Surface Area:35.5
Heavy Atom Count:22
Formal Charge:0
Complexity:312
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:2
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Hydrophobe Count:4
Feature 3D Ring Count:1
Effective Rotor Count:10
Conformer Sampling RMSD:1
CID Conformer Count:248

 

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