1-Phenoxy-2-propanol - ≥93%(GC) , CAS No.770-35-4

CAS: 770-35-4 Cat. No.: P135297 Peso molecular: 152.19 Beilstein Registry Number: 6(4)582 Número EC: 212-222-7

GRADE & PURITY ≥93%(GC)

Synonyms

racemic-1-Phenoxy-2-propanol | A838947 | AKOS000120974 | (2S,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid | AKOS017278201 | HSDB 8185 | NCGC00259259-01 | Tox21_303078 | Tox21_201710 | DTXS

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinónimos

racemic-1-Phenoxy-2-propanol | A838947 | AKOS000120974 | (2S, 3S, 4S, 5R, 6S)-6-[2-(3, 4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-3, 4, 5-trihydroxyoxane-2-carboxylic acid | AKOS017278201 | HSDB 8185 | NCGC00259259-01 | Tox21_303078 | Tox21_201710 | DTXS

Especificaciones y pureza

≥93%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature, Argon charged

Enviado en

Normal

Pureza

≥93%(GC)

Nombres e identificadores

• Pubchem Sid: 508807451
• Sonrisas canónicas: CC(COC1=CC=CC=C1)O
• IUPAC Name: 1-phenoxypropan-2-ol
• InChIKey: IBLKWZIFZMJLFL-UHFFFAOYSA-N
• INCHI: 1S/C9H12O2/c1-8(10)7-11-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3
• Isómeros SMILES: CC(COC1=CC=CC=C1)O
• RTECS: UB8886500
• Peso molecular: 152.19
• Beilstein: 6(4)582
• Reaxy-Rn: 1941356
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1941356&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Alkyl aryl ethers Secondary alcohols Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Secondary alcohol - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aromatic homomonocyclic compound
• Descripción: 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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: water: soluble 198 g/L at 20 °C
• Sensibilidad: Air Sensitive
• Índice de refracción: 1.52
• Punto de inflamación (°F): 125°C(lit.)
• Punto de inflamación (°C): 125°C(lit.)
• Punto de ebullición (°C): 233 °C
• Punto de fusión (°C): 20 °C
• Peso molecular: 152.190 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 152.084 Da
• Monoisotopic Mass: 152.084 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 97.700
• 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

Referencias

1. Zhonghua Chen, Yuande Cai, Yunyun Lu, Qi Cao, Peibin Lv, Yiru Zhang, Wenjie Liu.  (2022)  Preparation and Performance Study of Carboxy-Functionalized Graphene Oxide Composite Polyaniline Modified Water-Based Epoxy Zinc-Rich Coatings.  Coatings,  12  (6): (824).  [PMID:] [10.3390/coatings12060824]

2. Yang Zhen, Li Ning, Yang Xiao-xue, Zhang Xiao-a, Jiang Sheng-ling, Lyu Ya-fei.  (2017)  Synthesis and characterization of carborane-containing poly(hydroxy ethers) with excellent thermal stability.  CHINESE JOURNAL OF POLYMER SCIENCE,  35  (12): (1463-1473).  [PMID:] [10.1007/s10118-017-1994-6]