1-Phenoxypropan-2-ol - ≥95% , CAS No.130879-97-9

CAS: 130879-97-9 Cat. No.: B299831 Summenformel: C₉H₁₂O₂ Molekulargewicht: 152.19

GRADE & PURITY ≥95%

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

Shipped In

Normal

Specifications

Synonyme

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

Spezifikationen & Reinheit

≥95%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

• Pubchem Sid: 504756145
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756145
• Kanonisches Lächeln: 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
• Isomere SMILES: CC(COC1=CC=CC=C1)O
• Molekulargewicht: 152.19
• 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
    • Klasse Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 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

Referenzen

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]

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 130879-97-9, the molecular formula is C9H12O2, and the molecular weight is 152.19 g/mol. InChIKey IBLKWZIFZMJLFL-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.