Phenethyl octanoate

Name: Phenethyl octanoate
Brand: ChemScene
Availability: OutOfStock
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CAS No. 5457-70-5
Cat. No. CS-0504912
Purity≥98%
MDL No.None

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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General Information

CAS No. 5457-70-5
Cat. No. CS-0504912
Purity ≥98%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₆H₂₄O₂
Molecular Weight 248.36
Synonym(s) Phenethyl n-Octanoate
SMILES CCCCCCCC(OCCC1=CC=CC=C1)=O

Synthesis

Route1
- In-stock
  
  124-07-2
- 60-12-8
- ~82%
- 5457-70-5
References
- McNulty, James; Vemula, Ramesh; Krishnamoorthy, Venkatesan; Robertson, Al Tetrahedron, 2012 , vol. 68, # 27-28 p. 5415 - 5421
Route2
- 60-12-8
- 111-64-8
- ~%
- 5457-70-5
References
- Goguadse Soobsc. Akad. Gruzinsk. S.S.R.Chem.Abstr., 1940 , vol. 1, p. 513 Soobsc. Akad. Gruzinsk. S.S.R.Chem.Abstr., 1943 , p. 4710

Safety Information

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GHS Pictogram : N/A	GHS No : N/A
Signal Word : N/A	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

TPSA 26.3
LogP 4.1328
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 9

Other Classifications

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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Phenethyl octanoate

CAS No. 5457-70-5

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