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

CAS: 689-67-8 Cat. No.: G117484 分子式: C13H22O 分子量: 194.32 Beilstein Registry Number: 1(4)3581 EC番号: 211-711-2
注文可能
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
★
Size
USA
ドイツ (EU)*
Price
Qty
5ml
G117484-5ml
1 在庫あり
—
$11.90
25ml
G117484-25ml
7 在庫あり
—
$58.90
100ml
G117484-100ml
5 在庫あり
—
$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

同義語
(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_
仕様と純度
≥97%, mixture of isomers
保管条件
Room temperature
入荷
Normal
純度
≥97%
名前と識別子
パブケム・シド488191958
パブケム・シド・ウルhttps://pubchem.ncbi.nlm.nih.gov/substance/488191958
カノニカル・スマイルCC(=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+
異性体SMILES CC(=CCC/C(=C/CCC(=O)C)/C)C
RTECS YQ1190000
分子量 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
分類Prenol 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
説明This compound belongs to the class of organic compounds known as acyclic monoterpenoids. These are monoterpenes that do not contain a cycle.
External Descriptors Hydrocarbons
3 D構造
インタラクティブ化学構造モデル





証明書(CoA、COO、BSE/TSEと分析図)
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 Type日付商品
D1510013Certificate of AnalysisSep 08, 2026 G117484
K2116153Certificate of AnalysisAug 13, 2025 G117484
K2116155Certificate of AnalysisAug 13, 2025 G117484
A2431232Certificate of AnalysisNov 20, 2021 G117484
E2516023Certificate of AnalysisNov 20, 2021 G117484
G2318176Certificate of AnalysisNov 20, 2021 G117484
化学的性質と物理的性質
溶解度Insoluble in water; Very soluble in Ethanol
屈折率1.47
引火点(°C)65 °C
分子量194.310 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
参考文献
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]
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