(1R)-(-)-Nopol - ≥98%, mixture of isomer , CAS No.35836-73-8

CAS: 35836-73-8 Cat. No.: I169879 Summenformel: C₁₁H₁₈O Molekulargewicht: 166.26 EG-Nummer: 252-744-2

GRADE & PURITY ≥98%, mixture of isomer

Synonyms

NOPOL [MI] | Nopol, (-)- | CHEBI:171826 | 2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethanol | NOPOL, (+/-)- | EC 252-744-2 | EN300-1662338 | 10-(HYDROXYMETHYL)-2-PINENE | 2-((1R,5S)-6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl)ethanol | MFCD00075187

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

NOPOL [MI] | Nopol, (-)- | CHEBI:171826 | 2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethanol | NOPOL, (+/-)- | EC 252-744-2 | EN300-1662338 | 10-(HYDROXYMETHYL)-2-PINENE | 2-((1R,5S)-6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl)ethanol | MFCD00075187

Spezifikationen & Reinheit

≥98%, mixture of isomer

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

488191788

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488191788

Kanonisches Lächeln

CC1(C2CC=C(C1C2)CCO)C

IUPAC Name

2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethanol

InChIKey

ROKSAUSPJGWCSM-UWVGGRQHSA-N

INCHI

1S/C11H18O/c1-11(2)9-4-3-8(5-6-12)10(11)7-9/h3,9-10,12H,4-7H2,1-2H3/t9-,10-/m0/s1

Isomere SMILES

CC1([C@H]2CC=C([C@@H]1C2)CCO)C

WGK Deutschland

3

Molekulargewicht

166.26

Reaxy-Rn

1937743

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1937743&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Klasse Prenol lipids
      • Subclass Monoterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: Prenol lipids
• Subclass: Monoterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Bicyclic monoterpenoids
• Alternative Parents: Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Pinane monoterpenoid - Bicyclic monoterpenoid - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic homopolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other.
• 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: 1.493
• Flammpunkt (°F): 208.4 °F
• Flammpunkt (°C): 98 °C
• Siedepunkt (°C): 230-240 °C
• Molekulargewicht: 166.260 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 166.136 Da
• Monoisotopic Mass: 166.136 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 215.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 0
• 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 ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 35836-73-8, the molecular formula is C11H18O, and the molecular weight is 166.26 g/mol. InChIKey ROKSAUSPJGWCSM-UWVGGRQHSA-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.