Propylene glycol propyl ether - ≥99%, sum of isomers , CAS No.1569-01-3

CAS: 1569-01-3 Cat. No.: P432167 Summenformel: C₆H₁₄O₂ Molekulargewicht: 118.18 EG-Nummer: 216-372-4 PubChem CID: 15286

GRADE & PURITY ≥99%, sum of isomers

Synonyms

Q26840797 | FT-0694388 | NCGC00090992-02 | Propylene glycol propyl ether | Tox21_201392 | DTXCID409217 | LS-13217 | SCHEMBL34792 | PROPASOL Solvent P | 152BY1743W | UNII-152BY1743W | 1,2-PROPYLENE GLYCOL 1-PROPYL ETHER | 1-Propoxy-2-propanol

Storage

Room temperature

Specifications

Synonyme

Q26840797 | FT-0694388 | NCGC00090992-02 | Propylene glycol propyl ether | Tox21_201392 | DTXCID409217 | LS-13217 | SCHEMBL34792 | PROPASOL Solvent P | 152BY1743W | UNII-152BY1743W | 1,2-PROPYLENE GLYCOL 1-PROPYL ETHER | 1-Propoxy-2-propanol

Spezifikationen & Reinheit

≥99%, sum of isomers

Rechtliche Informationen

DOWANOL is a registered trademark of The Dow Chemical Company or an affiliated company of Dow

Storage

Room temperature

Reinheit

≥99%

Namen und Kennungen

Pubchem Sid

508811658

Kanonisches Lächeln

CCCOCC(C)O

IUPAC Name

1-propoxypropan-2-ol

InChIKey

FENFUOGYJVOCRY-UHFFFAOYSA-N

INCHI

1S/C6H14O2/c1-3-4-8-5-6(2)7/h6-7H,3-5H2,1-2H3

Isomere SMILES

CCCOCC(C)O

RTECS

UB9351000

PubChem CID

15286

UN-Nummer

3271

Verpackungsgruppe

III

Molekulargewicht

118.18

Reaxy-Rn

1732636

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: 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
• Beschreibung: 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

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Brechungsindex: 1.411
• Flammpunkt (°F): 115.5 °F
• Flammpunkt (°C): 48°C
• Siedepunkt (°C): 140-160 °C
• Molekulargewicht: 118.170 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 118.099 Da
• Monoisotopic Mass: 118.099 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 45.800
• 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