Lot numbers can be found on the outside label of a product:
Methyl 4-(2-hydroxyethyl)benzoate
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CAS No. 46190-45-8
- Cat. No. CS-0138580
- Purity≥96%
- MDL No.MFCD24447574
*For research and further manufacturing use only, not for direct human use.
Structure of 46190-45-8
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General Information
- CAS No. 46190-45-8
- Cat. No. CS-0138580
- Purity ≥96%
- MDL No. MFCD24447574
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₀H₁₂O₃
- Molecular Weight 180.20
- Synonym(s) None
- SMILES O=C(OC)C1=CC=C(C=C1)CCO
Description
Methyl 4-(2-hydroxyethyl)benzoate features a para-substituted aromatic core with a hydroxylated side chain, enabling dual functionality in synthetic design. This ester integrates readily into bioconjugation workflows and serves as a building block for functionalized polymers. The pendant hydroxyl group enhances solubility and provides a handle for further derivatization under mild conditions.
Application
Methyl 4-(2-hydroxyethyl)benzoate serves as a versatile synthetic intermediate, enabling straightforward functionalization at both the aromatic ring and the pendant hydroxyl group. Its stability under standard reaction conditions and compatibility with common protecting group strategies facilitate downstream transformations. The molecule functions effectively in ester coupling reactions, etherification, and as a building block for bioactive heterocycles and pharmaceutical scaffolds.
Synthesis
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Route1
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In-stock
1076-96-6 - ~80%
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In-stock
46190-45-8
References
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Chen, Ceng; Nagy, Gabriella; Walker, Amy V.; Maurer, Karl; McShea, Andy; Moeller, Kevin D. Journal of the American Chemical Society, 2006 , vol. 128, # 50 p. 16020 - 16021
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Route2
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In-stock
1075-49-6 - ~%
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In-stock
46190-45-8
References
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Chu, Wenhua; Tu, Zhude; McElveen, Elizabeth; Xu, Jinbin; Taylor, Michelle; Luedtke, Robert R.; MacH, Robert H. Bioorganic and Medicinal Chemistry, 2005 , vol. 13, # 1 p. 77 - 87
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Route3
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In-stock
1076-96-6
- ~%
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In-stock
46190-45-8
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79322-76-2
References
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Naito, Tatsuo; Yoneda, Takuma; Ito, Jun-Ichi; Nishiyama, Hisao Synlett, 2012 , vol. 23, # 20 p. 2957 - 2960
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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
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Precautionary Statements : P264-P270-P330
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Quality Control
Computational Chemistry Data
- TPSA 46.53
- LogP 1.008
- H_Acceptors 3
- H_Donors 1
- Rotatable_Bonds 3
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Key Words
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