Lot numbers can be found on the outside label of a product:
Ethyl Vanillate
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CAS No. 617-05-0
- Cat. No. CS-0013594
- Purity≥97%
- MDL No.MFCD00017269
*For research and further manufacturing use only, not for direct human use.
Structure of 617-05-0
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General Information
- CAS No. 617-05-0
- Cat. No. CS-0013594
- Purity ≥97%
- MDL No. MFCD00017269
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₀H₁₂O₄
- Molecular Weight 196.20
- Synonym(s) None
- SMILES O=C(OCC)C1=CC=C(O)C(OC)=C1
Description
Ethyl Vanillate delivers a stable, aromatic ester core with enhanced solubility in organic media, enabling efficient integration into fragrance and flavor formulations. This bench-stable compound features a vanillyl moiety paired with an ethyl ester group, offering robust performance under standard conditions.
Application
Ethyl Vanillate serves as a versatile building block in synthetic organic chemistry, enabling efficient access to vanillin-derived scaffolds through standard ester hydrolysis or reduction. Its bench-stable nature and compatibility with common reaction conditions facilitate integration into multi-step syntheses. Functions as a key intermediate for fragrance, flavor, and pharmaceutical applications, offering reliable reactivity and straightforward purification.
Synthesis
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Route1
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In-stock
121-34-6 - ~%
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In-stock
617-05-0
References
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US6638928 B1, ;
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Route2
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64-17-5 -
In-stock
9005-53-2 - ~%
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In-stock
617-05-0
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18256-48-9
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121-33-5
References
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US2010/121110 A1, ; Page/Page column 5-8 ;
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Route3
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64-17-5
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In-stock
121-34-6
- ~81%
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In-stock
617-05-0
References
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Kumar, Rakesh; Ramachandran, Uma; Srinivasan, Krishnamoorthy; Ramarao, Poduri; Raichur, Suryaprakash; Chakrabarti, Ranjan Bioorganic and Medicinal Chemistry, 2005 , vol. 13, # 13 p. 4279 - 4290
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS07
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Signal Word : Warning
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UN#: N/A
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Class : N/A
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Packing Group : N/A
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Hazard Statements : H302-H315-H319-H335
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Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 55.76
- LogP 1.5775
- H_Acceptors 4
- H_Donors 1
- Rotatable_Bonds 3
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