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

CAS: 5131-66-8 Cat. No.: B151801 Molecular Weight: 132.2 Beilstein Registry Number: 1(4)2471 EC Number: 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

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

Specifications & Purity

≥99%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥99%(GC)

Names and Identifiers

• Pubchem Sid: 488182676
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182676
• Canonical Smiles: 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
• Isomeric SMILES: CCCCOCC(C)O
• RTECS: UA7700000
• Alternate CAS: 29387-86-8
• Molecular Weight: 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
    • Class Organooxygen compounds
      • Subclass Alcohols and polyols

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

Associated Targets(Human)

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water
• Refractive Index: 1.416
• Flash Point(°F): 62°C(lit.)
• Flash Point(°C): 62°C(lit.)
• Boil Point(°C): 165-175 °C
• Molecular Weight: 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

References

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]