2,4,7,9-Tetramethyl-5-decyne-4,7-diol (DL- and meso- mixture) - ≥98% , CAS No.126-86-3

CAS: 126-86-3 Cat. No.: T301607 Molecular Weight: 226.36 EC Number: 204-809-1 PubChem CID: 31362

GRADE & PURITY ≥98%

Synonyms

TMDD | Surfynol TG-E (Salt/Mix) | Syrfynol 104 | MFCD00008942 | NCGC00254519-01 | Olfine AK 02 | Surfynol 104A | Surynol 104 | Surfynol TG | TETRAMETHYL DECYNEDIOL [HSDB] | UNII-B9Y126NY8K | 2,7,9-Tetramethyl-5-decyne-4,7-diol | J-660011 | 2,4,7,9-Tetrame

Storage

Room temperature

Shipped In

Normal

Overview

2, 4, 7, 9-tetramethyldec-5-yne-4,7-diol is a well-known acrylic adhesive.[1] It has amphiphilic characteristics. It is used a dopant in a heterojunction solar cell, it assists in the formation of a homogeneous interfacial layer over the photoactive layer. Doping results in decreasing the absorption of photons in the underneath photoactive layer, thereby in enhancing the photocurrent density.

Specifications

Synonyms

TMDD | Surfynol TG-E (Salt/Mix) | Syrfynol 104 | MFCD00008942 | NCGC00254519-01 | Olfine AK 02 | Surfynol 104A | Surynol 104 | Surfynol TG | TETRAMETHYL DECYNEDIOL [HSDB] | UNII-B9Y126NY8K | 2, 7, 9-Tetramethyl-5-decyne-4, 7-diol | J-660011 | 2, 4, 7, 9-Tetrame

Specifications & Purity

≥98%

Legal Information

Manufacturer：BASF

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488183169
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183169
• Canonical Smiles: CC(C)CC(C)(C#CC(C)(CC(C)C)O)O
• IUPAC Name: 2,4,7,9-tetramethyldec-5-yne-4,7-diol
• InChIKey: LXOFYPKXCSULTL-UHFFFAOYSA-N
• INCHI: 1S/C14H26O2/c1-11(2)9-13(5,15)7-8-14(6,16)10-12(3)4/h11-12,15-16H,9-10H2,1-6H3
• Isomeric SMILES: CC(C)CC(C)(C#CC(C)(CC(C)C)O)O
• PubChem CID: 31362
• Molecular Weight: 226.36
• Reaxy-Rn: 1724053

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Alpha,beta-unsaturated carbonyl compounds
          • Level6 Alpha,beta-unsaturated ketones
            • Level7 Ynones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Alpha,beta-unsaturated carbonyl compounds - Alpha,beta-unsaturated ketones
• Direct Parent: Ynones
• Alternative Parents: Tertiary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Ynone - Tertiary alcohol - Hydrocarbon derivative - Alcohol - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as ynones. These are organic compounds containing the ynone functional group, an alpha,beta unsaturated ketone group with the general structure RC#C-C(=O)R' (R' not H).
• 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

Mechanisms of Action

Chemical and Physical Properties

• Boil Point(°C): 260 °C
• Melt Point(°C): 54 °C
• Molecular Weight: 226.350 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 226.193 Da
• Monoisotopic Mass: 226.193 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 256.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Weiwei Zhang, Zhijun Yao, Hao Liu, Jiahao Liu, Mingyu Li, Fuquan Li, Hongtao Chen.  (2023)  Electrical and mechanical reliability and failure mechanism analysis of electrically conductive adhesives.  MICROELECTRONICS RELIABILITY,      [PMID:] [10.1016/j.microrel.2023.115236]

2. Weiwei Zhang, Jiahao Liu, Hao Liu, Jianqiang Wang, Luobin Zhang, Jintao Wang, Haozhong Wang, Fengyi Wang, Xinjie Wang, Fuwen Yu, Ziwen Lv, Zheng Zhang, Chunjin Hang, Mingyu Li, Hongtao Chen.  (2022)  Surface Functionalization of Micrometer Silver Flakes for Fabricating High-Performance Electrically Conductive Adhesives.  ACS Applied Electronic Materials,      [PMID:] [10.1021/acsaelm.2c01055]