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

CAS: 770-35-4 Cat. No.: P135297 Molecular Weight: 152.19 Beilstein Registry Number: 6(4)582 EC Number: 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

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

Specifications & Purity

≥93%(GC)

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥93%(GC)

Names and Identifiers

• Pubchem Sid: 508807451
• Canonical Smiles: 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
• Isomeric SMILES: CC(COC1=CC=CC=C1)O
• RTECS: UB8886500
• Molecular Weight: 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
    • Class Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: water: soluble 198 g/L at 20 °C
• Sensitivity: Air Sensitive
• Refractive Index: 1.52
• Flash Point(°F): 125°C(lit.)
• Flash Point(°C): 125°C(lit.)
• Boil Point(°C): 233 °C
• Melt Point(°C): 20 °C
• Molecular Weight: 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

References

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]