Rhodinol - ≥85%, mixture of L-citronellol and geraniol , CAS No.141-25-3

CAS: 141-25-3 Cat. No.: R485524 Summenformel: C₁₀H₂₀O Molekulargewicht: 156.27 EG-Nummer: 205-473-9 PubChem CID: 543323

GRADE & PURITY ≥85%, mixture of L-citronellol and geraniol

Synonyms

NCGC00256691-01 | 3,7-Dimethyl-7-octen-1-ol | CAS-141-25-3 | Tox21_302625 | LMFA05000637 | FEMA 2980 | Q67879666 | DTXCID9027233 | DTXSID2047193 | .alpha.-Citronellol | Rhodinol | 3,7-Dimethyl-7-octen-1-ol-, (S)- | 7-OCTEN-1-OL, 3,7-DIMETHYL- | EINECS 205

Storage

Room temperature

Übersicht

Natural occurrence:Geranium and citronella oils.

Specifications

Synonyme

NCGC00256691-01 | 3,7-Dimethyl-7-octen-1-ol | CAS-141-25-3 | Tox21_302625 | LMFA05000637 | FEMA 2980 | Q67879666 | DTXCID9027233 | DTXSID2047193 | .alpha.-Citronellol | Rhodinol | 3,7-Dimethyl-7-octen-1-ol-, (S)- | 7-OCTEN-1-OL, 3,7-DIMETHYL- | EINECS 205

Spezifikationen & Reinheit

≥85%, mixture of L-citronellol and geraniol

Storage

Room temperature

Reinheit

≥85%

Namen und Kennungen

Pubchem Sid

488190209

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488190209

Kanonisches Lächeln

CC(CCCC(=C)C)CCO

IUPAC Name

3,7-dimethyloct-7-en-1-ol

InChIKey

JGQFVRIQXUFPAH-UHFFFAOYSA-N

INCHI

1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h10-11H,1,4-8H2,2-3H3

Isomere SMILES

CC(CCCC(=C)C)CCO

PubChem CID

543323

Molekulargewicht

156.27

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Klasse Fatty Acyls
      • Subclass Fatty alcohols

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: Fatty Acyls
• Subclass: Fatty alcohols
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty alcohols
• Alternative Parents: Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty alcohol - 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 fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six carbon atoms.
• 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: n20/D 1.469 (lit.)
• Flammpunkt (°F): 210.2 °F - closed cup
• Flammpunkt (°C): 99 °C - closed cup
• Siedepunkt (°C): 68-70℃/1.8mmHg (lit.)
• Molekulargewicht: 156.260 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 156.151 Da
• Monoisotopic Mass: 156.151 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 107.000
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥85% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 141-25-3, the molecular formula is C10H20O, and the molecular weight is 156.27 g/mol. InChIKey JGQFVRIQXUFPAH-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.