1,2-Decanediol - ≥98% , CAS No.1119-86-4

CAS: 1119-86-4 Cat. No.: D154360 Molecular Weight: 174.28 Beilstein Registry Number: 1494 EC Number: 214-288-2

GRADE & PURITY ≥98%

Synonyms

SB47801 | MFCD00010739 | SB47825 | SYMCLARIOL | 1,2-Decanediol | CHEBI:143858 | AI3-16595 | DECYLENE GLYCOL [INCI] | J-640309 | N-DECANE-1,2-DIOL | 1,2-DECYLENE GLYCOL | SYMCLARIOL 344028 | 1,2-Dihydroxydecane | FT-0606327 | AS-56551 | D2720 | EN300-26773

Storage

Room temperature,Argon charged

Shipped In

Normal

Application

Drug Delivery, Surface Modification, PEGylation of Protein, Peptide & Oligo

Specifications

Synonyms

SB47801 | MFCD00010739 | SB47825 | SYMCLARIOL | 1, 2-Decanediol | CHEBI:143858 | AI3-16595 | DECYLENE GLYCOL [INCI] | J-640309 | N-DECANE-1, 2-DIOL | 1, 2-DECYLENE GLYCOL | SYMCLARIOL 344028 | 1, 2-Dihydroxydecane | FT-0606327 | AS-56551 | D2720 | EN300-26773

Specifications & Purity

≥98%

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504755350
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755350
• Canonical Smiles: CCCCCCCCC(CO)O
• IUPAC Name: decane-1,2-diol
• InChIKey: YSRSBDQINUMTIF-UHFFFAOYSA-N
• INCHI: 1S/C10H22O2/c1-2-3-4-5-6-7-8-10(12)9-11/h10-12H,2-9H2,1H3
• Isomeric SMILES: CCCCCCCCC(CO)O
• Molecular Weight: 174.28
• Beilstein: 1494
• Reaxy-Rn: 1738425
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1738425&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Fatty Acyls
      • Subclass Fatty alcohols

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Fatty alcohols
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty alcohols
• Alternative Parents: Secondary alcohols 1,2-diols Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty alcohol - Secondary alcohol - 1,2-diol - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six carbon atoms.
• 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

Chemical and Physical Properties

• Sensitivity: Moisture sensitive
• Boil Point(°C): 168 °C
• Melt Point(°C): 49 °C
• Molecular Weight: 174.280 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 174.162 Da
• Monoisotopic Mass: 174.162 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 83.900
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• 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. Lin Li, Jia Chen, Jiawei Liu, Zhongzheng Xu, Yining Wu, Mingwei Zhao, Guang Zhao, Caili Dai.  (2022)  Anionic surfactant based on oil-solid interfacial interaction control for efficient residual oil development.  COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS,      [PMID:] [10.1016/j.colsurfa.2022.129396]

2. Qingwen Dong, Xu Li, Jinxiang Dong.  (2021)  Synthesis and properties of ethoxylated vicinal diol nonionic surfactants with double hydrophilic head groups.  COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS,      [PMID:] [10.1016/j.colsurfa.2021.127971]

3. Zhipeng Sun, Zhiguo Jiang, Zhaobin Qiu.  (2020)  Thermal, crystallization and mechanical properties of branched Poly(butylene succinate) copolymers with 1,2-decanediol being the comonomer.  POLYMER,      [PMID:] [10.1016/j.polymer.2020.123197]