3-Butoxyphenol - ≥96%(GC) , CAS No.18979-72-1

CAS: 18979-72-1 Cat. No.: B152843 Formula: C₁₀H₁₄O₂ Peso molecolare: 166.22 Numero EC: 242-715-2

QUALITÀ & PUREZZA ≥96%(GC)

Synonyms

ButylResorcinol-d9 | Resorcinol Monobutyl Ether | SCHEMBL875417 | 3-Butoxyphenol, AldrichCPR | D83059 | 3-n-butoxyphenol | B0701 | MFCD00058976 | EINECS 242-715-2 | Resorcinmonobutylather | 3-(n-butoxy)phenol | DTXSID70172405 | AS-10380 | 3-n-butyloxyphen

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifiche

Sinonimi

ButylResorcinol-d9 | Resorcinol Monobutyl Ether | SCHEMBL875417 | 3-Butoxyphenol, AldrichCPR | D83059 | 3-n-butoxyphenol | B0701 | MFCD00058976 | EINECS 242-715-2 | Resorcinmonobutylather | 3-(n-butoxy)phenol | DTXSID70172405 | AS-10380 | 3-n-butyloxyphen

Specifiche e purezza

≥96%(GC)

Condizioni di conservazione di stoccaggio

Room temperature,Argon charged

Spedito in

Normal

Purezza

≥96%(GC)

Nomi e identificatori

Pubchem Sid

488186452

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488186452

Sorrisi canonici

CCCCOC1=CC=CC(=C1)O

IUPAC Name

3-butoxyphenol

InChIKey

VGIJZDWQVCXVNL-UHFFFAOYSA-N

INCHI

1S/C10H14O2/c1-2-3-7-12-10-6-4-5-9(11)8-10/h4-6,8,11H,2-3,7H2,1H3

Isomeri SMILES

CCCCOC1=CC=CC(=C1)O

Peso molecolare

166.22

Reaxy-Rn

2437449

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2437449&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 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - 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

• Sensibilità: Air Sensitive
• Indice di rifrazione: 1.52
• Punto di ebollizione (°C): 269°C(lit.)
• Peso molecolare: 166.220 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 166.099 Da
• Monoisotopic Mass: 166.099 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 114.000
• 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