3-(2-Ethylhexyloxy)-1,2-Propandiol - ≥98%(GC) , CAS No.70445-33-9

CAS: 70445-33-9 Cat. No.: E156476 Summenformel: C₁₁H₂₄O₃ Molekulargewicht: 204.31 EG-Nummer: 615-116-2

QUALITÄT & REINHEIT ≥98%(GC)

Synonyms

UNII-147D247K3P | SY055478 | SCHEMBL99276 | Ethylhexyl Glycerin;Octoxyglycerin;3-(2-Ethylhexyloxy)propane-1,2-diol | BCP30328 | ETHYLHEXYLGLYCERIN [INCI] | 147D247K3P | AKOS030240472 | MFCD03790878 | 3-[(2-Ethylhexyl)oxy]-1,2-propanediol | Octoxyglycerin

Storage

Room temperature

Shipped In

Normal

Spezifikationen

Synonyme

UNII-147D247K3P | SY055478 | SCHEMBL99276 | Ethylhexyl Glycerin;Octoxyglycerin;3-(2-Ethylhexyloxy)propane-1,2-diol | BCP30328 | ETHYLHEXYLGLYCERIN [INCI] | 147D247K3P | AKOS030240472 | MFCD03790878 | 3-[(2-Ethylhexyl)oxy]-1,2-propanediol | Octoxyglycerin

Spezifikationen & Reinheit

≥98%(GC)

Storage

Room temperature

Verschickt in

Normal

Aktionsart

INHIBITOR

Reinheit

≥98%(GC)

Namen und Kennungen

Pubchem Sid

488196370

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488196370

Kanonisches Lächeln

CCCCC(CC)COCC(CO)O

IUPAC Name

3-(2-ethylhexoxy)propane-1,2-diol

InChIKey

NCZPCONIKBICGS-UHFFFAOYSA-N

INCHI

1S/C11H24O3/c1-3-5-6-10(4-2)8-14-9-11(13)7-12/h10-13H,3-9H2,1-2H3

Isomere SMILES

CCCCC(CC)COCC(CO)O

RTECS

TY6462200

Molekulargewicht

204.31

Reaxy-Rn

6497012

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6497012&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Klasse Glycerolipids
      • Subclass Monoradylglycerols

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: Glycerolipids
• Subclass: Monoradylglycerols
• Intermediate Tree Nodes: Not available
• Direct Parent: Monoalkylglycerols
• Alternative Parents: 1-O-alkylglycerols Glycerol ethers Secondary alcohols 1,2-diols Dialkyl ethers Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Monoalkylglycerol - 1-o-alkylglycerol - Glycerol ether - Secondary alcohol - 1,2-diol - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as monoalkylglycerols. These are glycerolipids containing exactly one aliphatic chain linked to the glycerol moiety. This chain is the only one linked to the glycerol.
• 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

Chemische und physikalische Eigenschaften

• Brechungsindex: 1.45
• Flammpunkt (°C): 152 °C
• Schmelzpunkt (°C): 152 °C
• Molekulargewicht: 204.310 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 9
• Exact Mass: 204.173 Da
• Monoisotopic Mass: 204.173 Da
• Topological Polar Surface Area: 49.700 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 117.000
• 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