1,3-Bis(2-hydroxyethoxy)benzene - ≥98%(GC) , CAS No.102-40-9

CAS: 102-40-9 Cat. No.: B151937 Formula: C₁₀H₁₄O₄ Peso molecolare: 198.22 Beilstein Registry Number: 6(3)4317 Numero EC: 203-028-3

GRADE & PURITY ≥98%(GC)

Synonyms

2-[3-(2-Hydroxyethoxy)phenoxy]ethanol | CAS-102-40-9 | m-Bis(2-hydroxyethoxy)benzene | 2,2'-(BENZENE-1,3-DIYLBIS(OXY))DIETHANOL | DTXSID7044502 | NCIOpen2_000309 | W-108873 | 1,3-DIHYDROXYBENZENE BIS(2-HYDROXYETHYL) ETHER | IAXFZZHBFXRZMT-UHFFFAOYSA- | E8

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

2-[3-(2-Hydroxyethoxy)phenoxy]ethanol | CAS-102-40-9 | m-Bis(2-hydroxyethoxy)benzene | 2,2'-(BENZENE-1,3-DIYLBIS(OXY))DIETHANOL | DTXSID7044502 | NCIOpen2_000309 | W-108873 | 1,3-DIHYDROXYBENZENE BIS(2-HYDROXYETHYL) ETHER | IAXFZZHBFXRZMT-UHFFFAOYSA- | E8

Specifiche e purezza

≥98%(GC)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%(GC)

Nomi e identificatori

• Pubchem Sid: 488183869
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183869
• Sorrisi canonici: C1=CC(=CC(=C1)OCCO)OCCO
• IUPAC Name: 2-[3-(2-hydroxyethoxy)phenoxy]ethanol
• InChIKey: IAXFZZHBFXRZMT-UHFFFAOYSA-N
• INCHI: 1S/C10H14O4/c11-4-6-13-9-2-1-3-10(8-9)14-7-5-12/h1-3,8,11-12H,4-7H2
• Isomeri SMILES: C1=CC(=CC(=C1)OCCO)OCCO
• Peso molecolare: 198.22
• Beilstein: 6(3)4317
• Reaxy-Rn: 2049386
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2049386&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Alkyl aryl ethers Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
• 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: Slightly soluble in water; Degree of Solubility in water: 19 g/l 25 °C; Soluble in Methanol
• Punto di ebollizione (°C): 234°C/30mmHg(lit.)
• Punto di fusione (°C): 90 °C
• Peso molecolare: 198.220 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 198.089 Da
• Monoisotopic Mass: 198.089 Da
• Topological Polar Surface Area: 58.900 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 126.000
• 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. Li Shuo, Xu Tongan, Deng Ming, Jia Ruyan, Djouonkep Lesly Dasilva Wandji.  (2025)  Structure–Property Relationships of Renewable Ternary Polyesters Derived from Vanillin-Based Methyl Ester, Aliphatic Diacids, and Phenol Ether-Based Diols.  JOURNAL OF POLYMERS AND THE ENVIRONMENT,      [PMID:] [10.1007/s10924-025-03643-z]

2. Jie Wang, Guoli Kang, Zhiwu Huang, Shoucai Li, Xiaowei Xun, Junping Tu, Jifu Mao, Yizao Wan, Quanchao Zhang.  (2026)  Biomimetic Elastic Bacterial Cellulose/Polyurethane Micro-Nano Fibrous Grafts for Small-Diameter Vascular Replacement: Fabrication and Evaluation.  ACS Applied Polymer Materials,      [PMID:] [10.1021/acsapm.5c04426]