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· · COA & SDS available for every product · Same-day shipping on in-stock items Citronellic Acid - ≥95% , CAS No.502-47-6
Synonyms
SY267119 | MFCD00075195 | FEMA No. 3142 | CITRONELLIC ACID [INCI] | FT-0634039 | Z1255423445 | Citronellic acid | FT-0772986 | C1708 | CHEBI:80507 | FT-0693158 | 3(rs),7-dimethyl-6-octenoic acid | DTXSID1047106 | CAS-502-47-6 | Citronellic acid, 98% | Cal
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Why this grade ≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Normal Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Overview application：
Citronellic acid was used in synthesis of stereoisomers of 3,11- dimethylnonacosan-2-one and 29-hydroxy-3,11-dimethylnonacosan-2-one.
Specifications Synonyms
SY267119 | MFCD00075195 | FEMA No. 3142 | CITRONELLIC ACID [INCI] | FT-0634039 | Z1255423445 | Citronellic acid | FT-0772986 | C1708 | CHEBI:80507 | FT-0693158 | 3(rs),7-dimethyl-6-octenoic acid | DTXSID1047106 | CAS-502-47-6 | Citronellic acid, 98% | Cal
Specifications & Purity
≥95%
Names and Identifiers Pubchem Sid 504751942 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504751942 Canonical Smiles CC(CCC=C(C)C)CC(=O)O IUPAC Name 3,7-dimethyloct-6-enoic acid InChIKey GJWSUKYXUMVMGX-UHFFFAOYSA-N INCHI 1S/C10H18O2/c1-8(2)5-4-6-9(3)7-10(11)12/h5,9H,4,6-7H2,1-3H3,(H,11,12) Isomeric SMILES CC(CCC=C(C)C)CC(=O)O WGK Germany 3 RTECS RH3230000 Molecular Weight 170.25 Beilstein 4(2)1610 Reaxy-Rn 1422774 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1422774&ln=
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification 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 Medium-chain fatty acids Methyl-branched fatty acids Unsaturated fatty acids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aliphatic acyclic compounds Substituents Acyclic monoterpenoid - Medium-chain fatty acid - Branched fatty acid - Methyl-branched fatty acid - Unsaturated fatty acid - Fatty acyl - Fatty acid - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - 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 Branched fatty acids 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.
3D Structure Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solubility Insoluble in water. Refractive Index 1.45 Flash Point(°F) 235.4 °F Flash Point(°C) 113 °C Boil Point(°C) 121-122℃ Molecular Weight 170.250 g/mol XLogP3 3.000 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 5 Exact Mass 170.131 Da Monoisotopic Mass 170.131 Da Topological Polar Surface Area 37.300 Ų Heavy Atom Count 12 Formal Charge 0 Complexity 167.000 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
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