(S)-(-)-β-citronelol - ≥99% , CAS No.7540-51-4

CAS: 7540-51-4 Cat. No.: C111343 Peso molecular: 156.27 Beilstein Registry Number: 1721505 Número EC: 231-415-7

GRADE & PURITY ≥99%

Synonyms

(3S)-citronellol | (S)-(-)-.BETA.-CITRONELLOL | AS-57118 | (-)-3,7-Dimethyloct-6-en-1-ol | (-)-fA-Citronellol | (S)-citronellol | (S)-(-)-beta-Citronellol, 99% | CITRONELLOL, L- | DTXSID1041550 | C2254 | l-Citronellol | (-)-.BETA.-CITRONELLOL | (3S)-3,7-d

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

(3S)-citronellol | (S)-(-)-.BETA.-CITRONELLOL | AS-57118 | (-)-3, 7-Dimethyloct-6-en-1-ol | (-)-fA-Citronellol | (S)-citronellol | (S)-(-)-beta-Citronellol, 99% | CITRONELLOL, L- | DTXSID1041550 | C2254 | l-Citronellol | (-)-.BETA.-CITRONELLOL | (3S)-3, 7-d

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥99%

Nombres e identificadores

• Pubchem Sid: 488180566
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180566
• Sonrisas canónicas: CC(CCC=C(C)C)CCO
• IUPAC Name: (3S)-3,7-dimethyloct-6-en-1-ol
• InChIKey: QMVPMAAFGQKVCJ-JTQLQIEISA-N
• INCHI: 1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3/t10-/m0/s1
• Isómeros SMILES: C[C@@H](CCC=C(C)C)CCO
• WGK Alemania: 2
• RTECS: RH3404000
• Peso molecular: 156.27
• Beilstein: 1721505
• Reaxy-Rn: 1362474
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1362474&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Prenol lipids
• Subclass: Monoterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Acyclic monoterpenoids
• Alternative Parents: Fatty alcohols Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acyclic monoterpenoid - Fatty alcohol - Fatty acyl - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as acyclic monoterpenoids. These are monoterpenes that do not contain a cycle.
• External Descriptors: Acyclic monoterpenoids

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

Objetivos asociados (humanos)

UGT1A9 Tbio UDP-glucuronosyltransferase 1-9 (343 Activities)

Discover Target: UGT1A9

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: light sensitive
• Índice de refracción: 1.456
• Punto de inflamación (°F): 210.2 °F
• Punto de inflamación (°C): 99 °C
• Punto de ebullición (°C): 118 °C
• Peso molecular: 156.260 g/mol
• XLogP3: 3.200
• 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: 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

Referencias

1. Shuifang Mao, Bin Wang, Lin Yue, Wenshui Xia.  (2021)  Effects of citronellol grafted chitosan oligosaccharide derivatives on regulating anti-inflammatory activity.  CARBOHYDRATE POLYMERS,      [PMID:33838788] [10.1016/j.carbpol.2021.117972]

2. Hengde Li, Yongtao Han, Cheng Huang, Chufen Yang.  (2015)  (Liquid + liquid) equilibria for (water + 1-propanol or acetone + β-citronellol) at different temperatures.  JOURNAL OF CHEMICAL THERMODYNAMICS,      [PMID:] [10.1016/j.jct.2015.02.013]

3. Desen Su, Yunyun Zheng, Minmin Huang, Ziqiang Chen, Lisong Chen, Meizhen Chen, Qinghua Yao.  (2025)  Comparison of volatile compounds among different types of Tieguanyin oolong tea using DHI-GC-MS.  Analytical Methods,      [PMID:39982249] [10.1039/D4AY02042A]