Damascenone - ≥98% , CAS No.23696-85-7

CAS: 23696-85-7 Cat. No.: D139899 Formula: C₁₃H₁₈O Peso molecolare: 190.28 Numero EC: 245-833-2

GRADE & PURITY ≥98%

Synonyms

1-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one; 1-(2,6,6-Trimethyl-1,3-cyclohexadienyl)-2-buten-1-one; 1-Crotonoyl-2,6,6-trimethyl-1,3-cyclohexadiene; 2,6,6-Trimethyl-1-(2-butenoyl)-1,3-cyclohexadiene | beta-(E)-damascenone | .beta.-(E)-Damascen

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinonimi

1-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one; 1-(2,6,6-Trimethyl-1,3-cyclohexadienyl)-2-buten-1-one; 1-Crotonoyl-2,6,6-trimethyl-1,3-cyclohexadiene; 2,6,6-Trimethyl-1-(2-butenoyl)-1,3-cyclohexadiene | beta-(E)-damascenone | .beta.-(E)-Damascen

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 508813196
• Sorrisi canonici: CC=CC(=O)C1=C(C=CCC1(C)C)C
• IUPAC Name: (E)-1-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)but-2-en-1-one
• InChIKey: POIARNZEYGURDG-FNORWQNLSA-N
• INCHI: 1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+
• Isomeri SMILES: C/C=C/C(=O)C1=C(C=CCC1(C)C)C
• WGK Germania: 1
• Peso molecolare: 190.28
• Reaxy-Rn: 2046079
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2046079&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Alpha,beta-unsaturated carbonyl compounds
          • Level6 Alpha,beta-unsaturated ketones
            • Level7 Enones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Alpha,beta-unsaturated carbonyl compounds - Alpha,beta-unsaturated ketones
• Direct Parent: Enones
• Alternative Parents: Acryloyl compounds Ketones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Enone - Acryloyl-group - Ketone - Organic oxide - Hydrocarbon derivative - Aliphatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as enones. These are compounds containing the enone functional group, with the structure RC(=O)CR'.
• External Descriptors: C40 isoprenoids (tetraterpenes)

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

Obiettivi associati (umani)

Homo sapiens (32628 Activities)

Explore this target

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

DGAT1 Tclin Diacylglycerol O-acyltransferase 1 (1719 Activities)

Discover Target: DGAT1

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

OR5K1 Tdark Olfactory receptor 5K1 (56 Activities)

Discover Target: OR5K1

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

Obiettivi associati (non umani)

Trpa1 Transient receptor potential cation channel subfamily A member 1 (1003 Activities)

Discover Target: Trpa1

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Sensibilità: Moisture sensitive
• Indice di rifrazione: 1.350-1.380
• Peso molecolare: 190.280 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 190.136 Da
• Monoisotopic Mass: 190.136 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 327.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

Riferimenti

1. Jialing Lu, Jia Zheng, Dong Zhao, Yan Xu, Shuang Chen.  (2025)  The Effect of Ethanol on the Compound Thresholds and Aroma Perception in Chinese Baijiu.  MOLECULES,  30  (4): (933).  [PMID:40005243] [10.3390/molecules30040933]

2. Peng Zhang, Weiwei Wu, Bangxing Ma, Changkun Zheng, Qi Lin, Xinyi Zhao, Yan Huang, Fuming Lin, Weijiang Sun.  (2025)  Revealing the characteristic honey-like aroma formation in honey-scented black tea via molecular sensory analysis.  FOOD CHEMISTRY,      [PMID:40848345] [10.1016/j.foodchem.2025.146023]

3. Jie-Qiong Wang, Ying Gao, Zhi-Hui Feng, Si-Han Deng, Jian-Xin Chen, Fang Wang, Yi-Fan Li, Ying-Bin Zhang, Jun-Feng Yin, Liang Zeng, Wei-Biao Zhou, Yong-Quan Xu.  (2024)  Chemometrics and sensomics-assisted identification of key odorants responsible for retort odor in shelf-stored green tea infusion: A case study of Biluochun.  FOOD RESEARCH INTERNATIONAL,      [PMID:39277260] [10.1016/j.foodres.2024.114953]

4. Wenyi Duan, Zhenyu Yao, Chengkui Qiao, Junren Meng, Shihang Sun, Lei Pan, Liang Niu, Guochao Cui, Zhiqiang Wang, Wenfang Zeng.  (2025)  Combined volatile metabolome and transcriptome analysis of 60 peach cultivars provide new insights into the formation of aroma and the identification of associated genes.  Horticultural Plant Journal,      [PMID:] [10.1016/j.hpj.2024.12.005]

5. Jie-Qiong Wang, Bang-Ming Tang, Ying Gao, Jian-Xin Chen, Fang Wang, Jun-Feng Yin, Liang Zeng, Wei-Biao Zhou, Yong-Quan Xu.  (2024)  Impact of heat treatment on the flavor stability of Longjing green tea beverages: Metabolomic insights and sensory correlations.  FOOD RESEARCH INTERNATIONAL,      [PMID:39160050] [10.1016/j.foodres.2024.114867]

6. Renliang Zhao, Hengbin Yao, Ziyan Hou, Qiongqiong Zhou, Mengyao Zhao, Chunlai Wu, Lipan Zhang, Chao Xu, Hui Su.  (2024)  Sensomics-assisted analysis unravels the formation of the Fungus Aroma of Fu Brick Tea.  FOOD CHEMISTRY,      [PMID:38964109] [10.1016/j.foodchem.2024.140174]

7. Tianyu Ma, Chunguang Wang, Xinyue Zhang, Yuxuan Zhu, Jiani Liu, Jian Sun, Baoqing Zhu, Dongqing Ye.  (2024)  Unveiling the aromatic diversity of Fermented mango juices through 40 plant-derived Lactiplantibacillus plantarum.  FOOD CHEMISTRY,      [PMID:39642420] [10.1016/j.foodchem.2024.142026]

8. Tianzhu Li, Qian Zhang, Meng Ye, Yichen Cheng, Jing Yang, Jing Wang, Binglin Xing, Wei Guan, Jiamei Li, Chunyu Liu, Shengya Guo, Qiaoyun Yang, Duo Xu, Bo Du, Caixiang Liu, Guangcun He.  (2025)  Metabolome study of rice population and resistance to brown planthopper.  Journal of Integrative Plant Biology,      [PMID:40988465] [10.1111/jipb.70035]