Propylene glycol butyl ether - ≥99%(GC) , CAS No.5131-66-8

CAS: 5131-66-8 Cat. No.: B151801 Peso molecular: 132.2 Beilstein Registry Number: 1(4)2471 Número EC: 225-878-4

GRADE & PURITY ≥99%(GC)

Synonyms

NSC2211 | NSC-2211 | n-Butoxypropanol | Propasol solvent B | DTXSID8027589 | n-Butoxy-2-propanol | AKOS009158796 | InChI=1/C7H16O2/c1-3-4-5-9-6-7(2)8/h7-8H,3-6H2,1-2H3 | NSC 2211 | 2-PROPANOL, 1-BUTOXY- | EC 225-878-4 | Q24762634 | 1-Butoxypropan-2-ol | K

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

NSC2211 | NSC-2211 | n-Butoxypropanol | Propasol solvent B | DTXSID8027589 | n-Butoxy-2-propanol | AKOS009158796 | InChI=1/C7H16O2/c1-3-4-5-9-6-7(2)8/h7-8H, 3-6H2, 1-2H3 | NSC 2211 | 2-PROPANOL, 1-BUTOXY- | EC 225-878-4 | Q24762634 | 1-Butoxypropan-2-ol | K

Especificaciones y pureza

≥99%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥99%(GC)

Nombres e identificadores

• Pubchem Sid: 488182676
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182676
• Sonrisas canónicas: CCCCOCC(C)O
• IUPAC Name: 1-butoxypropan-2-ol
• InChIKey: RWNUSVWFHDHRCJ-UHFFFAOYSA-N
• INCHI: 1S/C7H16O2/c1-3-4-5-9-6-7(2)8/h7-8H,3-6H2,1-2H3
• Isómeros SMILES: CCCCOCC(C)O
• RTECS: UA7700000
• CAS alternativo: 29387-86-8
• Peso molecular: 132.2
• Beilstein: 1(4)2471
• Reaxy-Rn: 1733910
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1733910&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Alcohols and polyols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Not available
• Direct Parent: Secondary alcohols
• Alternative Parents: Dialkyl ethers Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Secondary alcohol - Ether - Dialkyl ether - Hydrocarbon derivative - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as secondary alcohols. These are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl).
• 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

Objetivos asociados (humanos)

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

Discover Target: NR3C1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

VDR Tclin Vitamin D receptor (26531 Activities)

Discover Target: VDR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

RXRA Tclin Retinoid X receptor alpha (3637 Activities)

Discover Target: RXRA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in water
• Índice de refracción: 1.416
• Punto de inflamación (°F): 62°C(lit.)
• Punto de inflamación (°C): 62°C(lit.)
• Punto de ebullición (°C): 165-175 °C
• Peso molecular: 132.200 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 132.115 Da
• Monoisotopic Mass: 132.115 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 54.900
• 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. Lixiao Xiao, Jirui Hou, Jiaqi Sun, Yulong Yang.  (2024)  Phase behavior of EOR-Oriented dilutable Single-Phase microemulsions.  FUEL,      [PMID:] [10.1016/j.fuel.2024.133695]

2. Yuan Duan, Lingjia Qiu, Mengting Zhang, Yongbo Ding, Peilin Wang, Liang Shen.  (2026)  Eco-friendly solvent-free waterborne hydroxyacrylate dispersions based on bio-based castor oil hyperbranched polyols for two-component polyurethane coatings with damping performance.  PROGRESS IN ORGANIC COATINGS,      [PMID:] [10.1016/j.porgcoat.2026.109961]

3. Lixiao Xiao, Jijun Wang, Yang Feng, Jie Wang, Jirui Hou.  (2026)  Nanoemulsion with ultra-small droplets and its imbibition in tight reservoirs.  COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS,      [PMID:] [10.1016/j.colsurfa.2026.140114]