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

CAS: 770-35-4 Cat. No.: P135297 Formula: C₉H₁₂O₂ Peso molecolare: 152.19 Beilstein Registry Number: 6(4)582 Numero 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

Sinonimi

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

Specifiche e purezza

≥93%(GC)

Condizioni di conservazione di stoccaggio

Room temperature,Argon charged

Spedito in

Normal

Purezza

≥93%(GC)

Nomi e identificatori

Pubchem Sid

508807451

Sorrisi canonici

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

Isomeri SMILES

CC(COC1=CC=CC=C1)O

RTECS

UB8886500

Peso molecolare

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
    • 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 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
• 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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: water: soluble 198 g/L at 20 °C
• Sensibilità: Air Sensitive
• Indice di rifrazione: 1.52
• Punto di infiammabilità (°F): 257℉(lit.)
• Punto di infiammabilità (°C): 125°C(lit.)
• Punto di ebollizione (°C): 233 °C
• Punto di fusione (°C): 20 °C
• Peso molecolare: 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