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

CAS: 7540-51-4 Cat. No.: C111343 Formule: C₁₀H₂₀O Poids moléculaire: 156.27 Beilstein Registry Number: 1721505 Numéro CE: 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

Synonymes

(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

Spécifications et pureté

≥99%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥99%

Noms et identifiants

• Pubchem Sid: 488180566
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180566
• Sourires canoniques: 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
• Isomères SMILES: C[C@@H](CCC=C(C)C)CCO
• WGK Allemagne: 2
• RTECS: RH3404000
• Poids moléculaire: 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
    • Classe Prenol lipids
      • Subclass Monoterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: 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
• 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: 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

Cibles associées (humaines)

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

Mécanismes d'action

Propriétés chimiques et physiques

• Sensibilité: light sensitive
• Indice de réfraction: 1.456
• Point d'éclair (°F): 210.2 °F
• Point d'éclair (°C): 99 °C
• Point d'ébullition (°C): 118 °C
• Poids moléculaire: 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

Références

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]

Foire aux questions

What is the purity of this product?

This product is supplied at ≥99% 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 7540-51-4, the molecular formula is C10H20O, and the molecular weight is 156.27 g/mol. InChIKey QMVPMAAFGQKVCJ-JTQLQIEISA-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.