Pentanoic acid,2-me...

Pentanoic acid,2-methoxy-1-methylethyl ester 5451-90-1

Pentanoic acid,2-methoxy-1-methylethyl ester 5451-90-1

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1 Gram

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  • Purity: 99%
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Pentanoic acid,2-methoxy-1-methylethyl ester 5451-90-1 Pentanoic acid,2-methoxy-1-methylethyl ester 98%

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  • Appearance:Solid
  • Application:Organic Chemicals
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  • ProductionCapacity:1|Metric Ton|Month
  • Storage:room temperature
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Details:

【Name】
Pentanoic acid,2-methoxy-1-methylethyl ester
【Iupac name】
1-methoxypropan-2-yl pentanoate
【CAS Registry number】
5451-90-1
【Synonyms】
Pentanoicacid, 2-methoxy-1-methylethyl ester (9CI)
NSC 21875
【Molecular Formula】
C9H18 O3 (Products with the same molecular formula)
【Molecular Weight】
174.2374
【Inchi】
InChI=1/C9H18O3/c1-4-5-6-9(10)12-8(2)7-11-3/h8H,4-7H2,1-3H3
【Canonical SMILES】
CCCCC(=O)OC(C)COC
Chemical and Physical Properties
【Density】
0.93g/cm3
【Boiling Point】
220°C at 760 mmHg
【Refractive Index】
1.418
【Flash Point】
73.4°C
【Computed Properties】
Molecular Weight:174.23742 [g/mol]
Molecular Formula:C9H18O3
XLogP3-AA:1.8
H-Bond Donor:0
H-Bond Acceptor:3
Rotatable Bond Count:7
Exact Mass:174.125594
MonoIsotopic Mass:174.125594
Topological Polar Surface Area:35.5
Heavy Atom Count:12
Formal Charge:0
Complexity:123
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:1
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
Effective Rotor Count:7
Conformer Sampling RMSD:0.8
CID Conformer Count:175]

 

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