Dihydromyrcenol - ≥99% , CAS No.18479-58-8

CAS: 18479-58-8 Cat. No.: D334001 Molecular Weight: 156.27 EC Number: 242-362-4

GRADE & PURITY ≥99%

Synonyms

2,6-Dimethyloct-7-en-2-ol

Storage

Room temperature

Shipped In

Normal

Overview

Product Describtion:

Dihydrolauryl alcohol is used in the spice industry due to its fresh lime and citrin-like odor

Specifications

Synonyms

2, 6-Dimethyloct-7-en-2-ol

Specifications & Purity

≥99%

Storage

Room temperature

Shipped In

Normal

Purity

≥99%

Names and Identifiers

• Canonical Smiles: CC(CCCC(C)(C)O)C=C
• IUPAC Name: 2,6-dimethyloct-7-en-2-ol
• InChIKey: XSNQECSCDATQEL-UHFFFAOYSA-N
• INCHI: 1S/C10H20O/c1-5-9(2)7-6-8-10(3,4)11/h5,9,11H,1,6-8H2,2-4H3
• Isomeric SMILES: CC(CCCC(C)(C)O)C=C
• WGK Germany: 1
• RTECS: RH3420000
• Molecular Weight: 156.27
• Reaxy-Rn: 1840872
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1840872&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: Tertiary alcohols
• Alternative Parents: Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tertiary alcohol - Hydrocarbon derivative - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as tertiary alcohols. These are compounds in which a hydroxy group, -OH, is attached to a saturated carbon atom R3COH (R not H ).
• External Descriptors: tertiary alcohol - monoterpenoid

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: n20/D 1.443
• Flash Point(°F): 168.8 °F
• Flash Point(°C): 76 °C
• Boil Point(°C): 84° C (lit.) at 10 mmHg
• Molecular Weight: 156.260 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• 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: 116.000
• 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

References

1. Duan-Jian Tao, Yan Dong, Zhi-Jun Cao, Feng-Feng Chen, Xiang-Shu Chen, Kuan Huang.  (2016)  Tuning the acidity of sulfonic functionalized ionic liquids for highly efficient and selective synthesis of terpene esters.  JOURNAL OF INDUSTRIAL AND ENGINEERING CHEMISTRY,      [PMID:] [10.1016/j.jiec.2016.07.014]