(S)-(+)-Citronellyl bromide - ≥95% , CAS No.143615-81-0

CAS: 143615-81-0 Cat. No.: S467116 Molecular Weight: 219.16 EC Number: 629-109-7 PubChem CID: 10900106

GRADE & PURITY ≥95%

Synonyms

(S)-(+)-Citronellyl bromide | DTXSID30447702 | (S)-(+)-8-Bromo-2,6-dimethyl-2-octene | (S)-(+)-Citronellyl bromide, 95% | AS-82004 | (S)(-)Citronellyl bromide | AKOS025294503 | QPKCDMXLSDFCQD-JTQLQIEISA-N | 2-Octene,8-bromo-2,6-dimethyl-, (6S)- | (S)-citr

Storage

Room temperature

Specifications

Synonyms

(S)-(+)-Citronellyl bromide | DTXSID30447702 | (S)-(+)-8-Bromo-2, 6-dimethyl-2-octene | (S)-(+)-Citronellyl bromide, 95% | AS-82004 | (S)(-)Citronellyl bromide | AKOS025294503 | QPKCDMXLSDFCQD-JTQLQIEISA-N | 2-Octene, 8-bromo-2, 6-dimethyl-, (6S)- | (S)-citr

Specifications & Purity

≥95%

Storage

Room temperature

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 488196904
• Canonical Smiles: CC(CCC=C(C)C)CCBr
• IUPAC Name: (6S)-8-bromo-2,6-dimethyloct-2-ene
• InChIKey: QPKCDMXLSDFCQD-JTQLQIEISA-N
• INCHI: 1S/C10H19Br/c1-9(2)5-4-6-10(3)7-8-11/h5,10H,4,6-8H2,1-3H3/t10-/m0/s1
• Isomeric SMILES: C[C@@H](CCC=C(C)C)CCBr
• WGK Germany: 3
• PubChem CID: 10900106
• Molecular Weight: 219.16

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Prenol lipids
• Subclass: Monoterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Acyclic monoterpenoids
• Alternative Parents: Organobromides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acyclic monoterpenoid - Hydrocarbon derivative - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as acyclic monoterpenoids. These are monoterpenes that do not contain a cycle.
• 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

Chemical and Physical Properties

• Refractive Index: n20/D 1.474 (lit.)
• Specific Rotation[α]: [α]20/D +6.8°, neat
• Flash Point(°F): 203 °F
• Flash Point(°C): 95 °C
• Boil Point(°C): 111° C at 12 mmHg
• Molecular Weight: 219.160 g/mol
• XLogP3: 4.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 5
• Exact Mass: 218.067 Da
• Monoisotopic Mass: 218.067 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 112.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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