Mesitaldehyde - ≥95% , CAS No.487-68-3

CAS: 487-68-3 Cat. No.: M109959 Formula: C₁₀H₁₂O Peso molecolare: 148.2 Beilstein Registry Number: 1364114 Numero EC: 207-662-1

GRADE & PURITY ≥95%

Synonyms

SY035572 | NSC29094 | NSC-29094 | W-106040 | BRN 1364114 | CAS-487-68-3 | Isodural | Mesitaldehyde, Vetec(TM) reagent grade, 98% | AKOS000120393 | 2,6-Trimethylbenzaldehyde | DTXCID7030694 | MFCD00003341 | Tox21_303703 | b-Isodural | Mesitylenecarboxaldeh

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinonimi

SY035572 | NSC29094 | NSC-29094 | W-106040 | BRN 1364114 | CAS-487-68-3 | Isodural | Mesitaldehyde, Vetec(TM) reagent grade, 98% | AKOS000120393 | 2,6-Trimethylbenzaldehyde | DTXCID7030694 | MFCD00003341 | Tox21_303703 | b-Isodural | Mesitylenecarboxaldeh

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Argon charged,Room temperature

Spedito in

Normal

Purezza

≥95%

Nomi e identificatori

• Pubchem Sid: 488181097
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181097
• Sorrisi canonici: CC1=CC(=C(C(=C1)C)C=O)C
• IUPAC Name: 2,4,6-trimethylbenzaldehyde
• InChIKey: HIKRJHFHGKZKRI-UHFFFAOYSA-N
• INCHI: 1S/C10H12O/c1-7-4-8(2)10(6-11)9(3)5-7/h4-6H,1-3H3
• Isomeri SMILES: CC1=CC(=C(C(=C1)C)C=O)C
• WGK Germania: 3
• RTECS: CU8500000
• Peso molecolare: 148.2
• Beilstein: 1364114
• Reaxy-Rn: 1364114
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1364114&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzoyl derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzoyl derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoyl derivatives
• Alternative Parents: Benzaldehydes Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoyl - Benzaldehyde - Aryl-aldehyde - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aldehyde - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-).
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Proprietà chimiche e fisiche

• Solubilità: Soluble in Chloroform
• Sensibilità: light & Air sensitive
• Punto di congelamento (°C): 11 °C
• Indice di rifrazione: 1.553
• Punto di infiammabilità (°F): 222.8 °F
• Punto di infiammabilità (°C): 106 °C
• Punto di ebollizione (°C): 237°C
• Punto di fusione (°C): 11°C
• Peso molecolare: 148.200 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 148.089 Da
• Monoisotopic Mass: 148.089 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 130.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Riferimenti

1. Minghui Wang, Yuxin Lin, Shuai Wu, Ying Deng, Yuanyuan Zhang, Jie Yang, Genxi Li.  (2022)  An electrochemical biosensor for PD-L1 positive exosomes based on ultra-thin two-dimensional covalent organic framework nanosheets coupled with CRISPR-Cas12a mediated signal amplification.  SENSORS AND ACTUATORS B-CHEMICAL,      [PMID:] [10.1016/j.snb.2022.131813]

2. Yan Chen, Zhao Mo, Xingtong Zhu, Qingxiang Xu, Zhaoli Xue, Henan Li, Hui Xu, Long Zhao.  (2021)  Facilitated interfacial charge separation using triphenylamine-zinc porphyrin dyad-sensitized TiO2 nanoparticles for photocatalysis.  JOURNAL OF ALLOYS AND COMPOUNDS,      [PMID:] [10.1016/j.jallcom.2021.161795]

3. Haodong Duan, Kangwei Leng, Xiaolei Xu, Qianmin Li, Dayong Liu, Yuxi Han, Jun Gao, Qing Yu, Zhongwei Wang.  (2021)  Monoacylphosphine oxides with substituents in the phosphonyl moiety as Norrish I photoinitiators: Synthesis, photoinitiattion properties and mechanism.  JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY,      [PMID:] [10.1016/j.jphotochem.2021.113517]

4. Qingxiang Xu, Long Zhao, Yuhan Ma, Rui Yuan, Maosong Liu, Zhaoli Xue, Henan Li, Jianming Zhang, Xinping Qiu.  (2021)  Substituents and the induced partial charge effects on cobalt porphyrins catalytic oxygen reduction reactions in acidic medium.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:33872883] [10.1016/j.jcis.2021.04.009]

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6. Li Jie, Zhao Yuting, Li Baoyu, Chen Lixi, Guo Qi, Song Wanrong, He Linwei, Chen Long, Zhang Mingxing, Chai Zhifang, Wang Shuao.  (2025)  Converging synergistic functions into a cationic polymeric network for unparalleled remediation of TcO4− from high-level radioactive wastes.  Science China-Chemistry,      [PMID:] [10.1007/s11426-024-2551-0]

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