(E)-Crotonic acid
Based on 1 publication(s) in Google Scholar
NSC 8751 (trans-2-Butenoic acid; trans-Crotonic acid) is an unsaturated carboxylic acid compound containing α,β-unsaturated carboxylic acid groups. NSC 8751 is one of the important analogs for evaluating the safety of fragrance ingredients and is used to evaluate the toxicological properties of compounds with similar structures. When NSC 8751 is applied to local lymph nodes, a 50% concentration does not cause skin sensitization. Structural analogs of NSC 8751 have been shown to be non-genotoxic. trans-Crotonic acid can be used in the preparation of cosmetics and food additives.
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- Pureté: 99.69%
- CAS No.: 107-93-7
- Formule: C4H6O2
- Masse moléculaire:86.09
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Stockage:
Store at room temperature 3 years.
In solvent -80°C, 2 years , -20°C, 1 year
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Activité biologique
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Chemical Information
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Solvant et solubilité
- Pureté et documentation
- Références
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Help & FAQs
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Publications Citing Use of MedChemExpress (MCE) (E)-Crotonic acid
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Activité biologique
NSC 8751 can be used to evaluate the skin sensitization and toxicological safety of structurally similar unsaturated carboxylic acid fragrances (such as 2-methyl-trans-2-butenoic acid). For example, the human repeated patch test (HRIPT) and local lymph node assay can be used to confirm the safety of similar substances in cosmetics[1].
Or the toxicological data of NSC 8751 can be used to deduce the safety of similar compounds through cross-species and structural analogies. For example, based on the non-sensitizing property of NSC 8751, the safety assessment of 2-methyl-trans-2-butenoic acid in cosmetics can be supported[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
Chemical Information
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CAS No. 107-93-7
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Appearance Solid
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Masse moléculaire 86.09
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Formule C4H6O2
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Color White to yellow
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SMILES
C/C=C/C(O)=O
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Synonyms
(E)-2-Butenoic acid; trans-2-Butenoic acid; trans-Crotonic acid
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Structure Classification
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Initial Source
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Livraison
Room temperature in continental US; may vary elsewhere.
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Stockage
Store at room temperature 3 years
In solvent -80°C 2 years -20°C 1 year
Publications (1)
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Journal Impact Factor
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Most Recent
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Int J Mol Sci
2023 Apr 11;24(8):7031. PMID: 37108194
Solvant et solubilité
H2O : 100 mg/mL (1161.58 mM; Need ultrasonic)
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 2 years; -20°C, 1 year. When stored at -80°C, please use it within 2 years. When stored at -20°C, please use it within 1 year.
* Note: If you choose water as the stock solution, please dilute it to the working solution, then filter and sterilize it with a 0.22 μm filter before use.
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 2 years; -20°C, 1 year. When stored at -80°C, please use it within 2 years. When stored at -20°C, please use it within 1 year.
* Note: If you choose water as the stock solution, please dilute it to the working solution, then filter and sterilize it with a 0.22 μm filter before use.
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)
Pureté et documentation
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Fiche technique (271 KB)
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SDS (477 KB)
- English - EN (477 KB)
- Français - FR (477 KB)
- Deutsch - DE (477 KB)
- Norwegian - NO (477 KB)
- Español - ES (477 KB)
- Swedish - SV (477 KB)
- Italian - IT (477 KB)
- Portuguese - PT (477 KB)
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Instruction de manipulation (2659 KB)
Références
[1]. Api AM, et al. RIFM fragrance ingredient safety assessment 2-methyl-trans-2-butenoic acid, CAS Registry Number 80-59-1. Food Chem Toxicol. 2018 Sep;118 Suppl 1:S1-S7. [Content Brief]
[2]. Jasicka-Misiak I, et al. Crotonic acid as a bioactive factor in carrot seeds (Daucus carota L.). Phytochemistry. 2005 Jun;66(12):1485-91. [Content Brief]
Complete Stock Solution Preparation Table
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 2 years; -20°C, 1 year. When stored at -80°C, please use it within 2 years. When stored at -20°C, please use it within 1 year.
| Optional Solvent | Concentration Solvent Mass | 1 mg | 5 mg | 10 mg | 25 mg |
|---|---|---|---|---|---|
| H2O | 1 mM | 11.6158 mL | 58.0788 mL | 116.1575 mL | 290.3938 mL |
| 5 mM | 2.3232 mL | 11.6158 mL | 23.2315 mL | 58.0788 mL | |
| 10 mM | 1.1616 mL | 5.8079 mL | 11.6158 mL | 29.0394 mL | |
| 15 mM | 0.7744 mL | 3.8719 mL | 7.7438 mL | 19.3596 mL | |
| 20 mM | 0.5808 mL | 2.9039 mL | 5.8079 mL | 14.5197 mL | |
| 25 mM | 0.4646 mL | 2.3232 mL | 4.6463 mL | 11.6158 mL | |
| 30 mM | 0.3872 mL | 1.9360 mL | 3.8719 mL | 9.6798 mL | |
| 40 mM | 0.2904 mL | 1.4520 mL | 2.9039 mL | 7.2598 mL | |
| 50 mM | 0.2323 mL | 1.1616 mL | 2.3232 mL | 5.8079 mL | |
| 60 mM | 0.1936 mL | 0.9680 mL | 1.9360 mL | 4.8399 mL | |
| 80 mM | 0.1452 mL | 0.7260 mL | 1.4520 mL | 3.6299 mL | |
| 100 mM | 0.1162 mL | 0.5808 mL | 1.1616 mL | 2.9039 mL |
* Note: If you choose water as the stock solution, please dilute it to the working solution, then filter and sterilize it with a 0.22 μm filter before use.
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