Butoxypolypropylene glycol（BPPG） - average Mn ~1,000 , CAS No.9003-13-8

CAS: 9003-13-8 Cat. No.: B356655 EC Number: 500-003-1

GRADE & PURITY average Mn ~1,000

Synonyms

T6ECP5S4P4 | 1-(1-BUTOXY-2-PROPOXY)-2-PROPANOL | 2-Propanol, 1-(2-butoxy-1-methoxy)- | Dipropylene glycol monobutyl ether | 1-[(1-Butoxy-2-propanyl)oxy]-2-propanol | Dipropylene glycol mono butyl ether | Dowanol 54B | Dowanol DPnB | NCGC00258335-01 | AKOS

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

T6ECP5S4P4 | 1-(1-BUTOXY-2-PROPOXY)-2-PROPANOL | 2-Propanol, 1-(2-butoxy-1-methoxy)- | Dipropylene glycol monobutyl ether | 1-[(1-Butoxy-2-propanyl)oxy]-2-propanol | Dipropylene glycol mono butyl ether | Dowanol 54B | Dowanol DPnB | NCGC00258335-01 | AKOS

Specifications & Purity

average Mn ~1, 000

Storage

Room temperature

Shipped In

Normal

Names and Identifiers

• Canonical Smiles: CCCCO.CC(O)CO
• IUPAC Name: 1-(1-butoxypropan-2-yloxy)propan-2-ol
• InChIKey: CUVLMZNMSPJDON-UHFFFAOYSA-N
• INCHI: 1S/C10H22O3/c1-4-5-6-12-8-10(3)13-7-9(2)11/h9-11H,4-8H2,1-3H3
• Isomeric SMILES: CCCCOCC(C)OCC(C)O
• Reaxy-Rn: 3972958
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3972958&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

Chemical and Physical Properties

• Refractive Index: 1.45
• Flash Point(°F): 285.1 °F
• Flash Point(°C): 140.6° C
• Boil Point(°C): >200° C (lit.)
• Melt Point(°C): -20° C
• Molecular Weight: 190.280 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 190.157 Da
• Monoisotopic Mass: 190.157 Da
• Topological Polar Surface Area: 38.700 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 106.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• 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. Huo Yanqiu, Ge Huan, Lin Changhong, Ying Puyou, Huang Min, Zhang Ping, Yang Tao, Liu Gang, Wu Jianbo, Levchenko Vladimir.  (2021)  A Thermally Self-healing and Recyclable Polyurethane by Incorporating Halloysite Nanotubes via In Situ Polymerization.  APPLIED COMPOSITE MATERIALS,  29  (2): (729-743).  [PMID:] [10.1007/s10443-021-09989-6]