Geranyl Acetone - ≥97%, mixture of isomers , CAS No.689-67-8

CAS: 689-67-8 Cat. No.: G117484 Molecular Weight: 194.32 Beilstein Registry Number: 1(4)3581 EC Number: 211-711-2
AVAILABLE TO ORDER
GRADE & PURITY ≥97% mixture of isomers
Synonyms
(E)-6,10-Dimethyl-5,9-undecadien-2-one | SCHEMBL112855 | A836300 | cis,trans-Geranylacetone | E-geranyl acetone | 6,10-Dimethyl-5(E),9-undecadien-2-one | NCGC00249179-01 | DTXCID901586 | FEMA No. 3542 | 5,9-Undecadien-2-one, 6,10-dimethyl-, (5E)- | Tox21_
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5ml
G117484-5ml
2
$11.90
25ml
G117484-25ml
7
$58.90
100ml
G117484-100ml
5
$96.90
Enter a quantity for the sizes you want to add.
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Why this grade

≥97%, mixture of isomers 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 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
(E)-6, 10-Dimethyl-5, 9-undecadien-2-one | SCHEMBL112855 | A836300 | cis, trans-Geranylacetone | E-geranyl acetone | 6, 10-Dimethyl-5(E), 9-undecadien-2-one | NCGC00249179-01 | DTXCID901586 | FEMA No. 3542 | 5, 9-Undecadien-2-one, 6, 10-dimethyl-, (5E)- | Tox21_
Specifications & Purity
≥97%, mixture of isomers
Storage
Room temperature
Shipped In
Normal
Purity
≥97%
Names and Identifiers
Pubchem Sid488191958
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488191958
Canonical SmilesCC(=CCCC(=CCCC(=O)C)C)C
IUPAC Name(5E)-6,10-dimethylundeca-5,9-dien-2-one
InChIKeyHNZUNIKWNYHEJJ-FMIVXFBMSA-N
INCHI1S/C13H22O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h7,9H,5-6,8,10H2,1-4H3/b12-9+
Isomeric SMILES CC(=CCC/C(=C/CCC(=O)C)/C)C
RTECS YQ1190000
Molecular Weight 194.32
Beilstein 1(4)3581
Reaxy-Rn 1757821
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1757821&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.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassLipids and lipid-like molecules
ClassPrenol lipids
SubclassMonoterpenoids
Intermediate Tree Nodes Not available
Direct ParentAcyclic monoterpenoids
Alternative Parents Ketones  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAliphatic acyclic compounds
Substituents Acyclic monoterpenoid - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
DescriptionThis compound belongs to the class of organic compounds known as acyclic monoterpenoids. These are monoterpenes that do not contain a cycle.
External Descriptors Hydrocarbons
3D Structure
Interactive Chemical Structure Model





Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

6 results found

Lot NumberCertificate TypeDateItem
K2116153Certificate of AnalysisAug 13, 2025 G117484
K2116155Certificate of AnalysisAug 13, 2025 G117484
D1510013Certificate of AnalysisDec 12, 2022 G117484
A2431232Certificate of AnalysisNov 20, 2021 G117484
E2516023Certificate of AnalysisNov 20, 2021 G117484
G2318176Certificate of AnalysisNov 20, 2021 G117484
Chemical and Physical Properties
SolubilityInsoluble in water; Very soluble in Ethanol
Refractive Index1.47
Flash Point(°C)65 °C
Molecular Weight194.310 g/mol
XLogP33.700
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count6
Exact Mass194.167 Da
Monoisotopic Mass194.167 Da
Topological Polar Surface Area17.100 Ų
Heavy Atom Count14
Formal Charge0
Complexity230.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds1
Covalently-Bonded Unit Count1
Citations of This Product
References
1. Junyao Li, Changhong Hao, Huiyan Jia, Jing Zhang, Huiting Wu, Jingming Ning, Rangjian Wang, Wei-Wei Deng.  (2022)  Aroma characterization and their changes during the processing of black teas from the cultivar, Camellia sinensis (L.) O. Kuntze cv. Jinmudan.  JOURNAL OF FOOD COMPOSITION AND ANALYSIS,      [PMID:] [10.1016/j.jfca.2022.104449]
2. Jilai Cui, Xiaoting Zhai, Danyang Guo, Wenkai Du, Ting Gao, Jie Zhou, Wilfried G. Schwab, Chuankui Song.  (2021)  Characterization of Key Odorants in Xinyang Maojian Green Tea and Their Changes During the Manufacturing Process.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:34932338] [10.1021/acs.jafc.1c06473]
Solution Calculators
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