Lot numbers can be found on the outside label of a product:
Propyl dodecanoate
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CAS No. 3681-78-5
- Cat. No. CS-W002270
- Purity≥98%
- MDL No.MFCD00056190
*For research and further manufacturing use only, not for direct human use.
Structure of 3681-78-5
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General Information
- CAS No. 3681-78-5
- Cat. No. CS-W002270
- Purity ≥98%
- MDL No. MFCD00056190
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₅H₃₀O₂
- Molecular Weight 242.40
- Synonym(s) Propyl laurate
- SMILES CCCCCCCCCCCC(OCCC)=O
Description
Propyl dodecanoate is a long-chain ester featuring a propyl group linked to a saturated dodecanoic acid backbone. This compound exhibits excellent solubility in organic solvents and demonstrates thermal stability under standard bench conditions. Its extended alkyl chain imparts low volatility and enhanced hydrophobicity, making it suitable for use in fragrance formulations, lubricant additives, and as a model compound in lipid metabolism studies.
Application
Propyl dodecanoate serves as a stable, bench-ready ester intermediate for the synthesis of linear alkyl chain derivatives. Its well-defined structure facilitates straightforward hydrolysis or transesterification under mild conditions, enabling efficient access to dodecanoic acid or related esters. The compound exhibits excellent functional group tolerance and ease of purification, making it a reliable building block in lipid chemistry and fragrance formulation workflows.
Synthesis
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Route1
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71-23-8 -
In-stock
143-07-7 - ~96%
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In-stock
3681-78-5
References
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Council of Scientific and Industrial Research Patent: US6350896 B1, 2002 ; Location in patent: Example 6 ;
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Route2
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71-23-8
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In-stock
111-82-0 - ~98%
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In-stock
3681-78-5
References
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Eras, Jordi; Llovera, Montserrat; Ferran, Xavier; Canela, Ramon Synthetic Communications, 1999 , vol. 29, # 7 p. 1129 - 1133
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Route3
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71-23-8
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In-stock
1956-11-2 - ~%
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In-stock
3681-78-5
References
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Romero, Cintia M.; Pera, Licia M.; Loto, Flavia; Baigori, Mario D. Catalysis Letters, 2012 , vol. 142, # 11 p. 1361 - 1368
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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 26.3
- LogP 4.8605
- H_Acceptors 2
- H_Donors 0
- Rotatable_Bonds 12
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