Cas no 31798-12-6 (3-Buten-2-one,4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (-)-)
31798-12-6 structure
Product Name:3-Buten-2-one,4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (-)-
3-Buten-2-one,4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (-)- Chemical and Physical Properties
Names and Identifiers
-
- 3-Buten-2-one,4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (-)-
- (-)-4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-one
- FT-0622164
- .alpha.-Ionone
- NS00079289
- DTXSID7044477
- FT-0616505
- (E)-(+-)-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one
-
- Inchi： 1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6-8,12H,5,9H2,1-4H3
- InChI Key： UZFLPKAIBPNNCA-UHFFFAOYSA-N
- SMILES： O=C(C)C=CC1C(C)=CCCC1(C)C
Computed Properties
- Exact Mass: 192.1515
- Monoisotopic Mass: 192.151415
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 282
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 17.1
- XLogP3: 3
Experimental Properties
- Density: 0.935
- Boiling Point: 257.6°Cat760mmHg
- Flash Point: 111.9°C
- PSA: 17.07
3-Buten-2-one,4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (-)- Related Literature
-
Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
-
David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
-
Marta Liras,Isabel Quijada-Garrido,Marta Palacios-Cuesta,Sonia Mu?oz-Durieux,Olga García Polym. Chem., 2014,5, 433-442
31798-12-6 (3-Buten-2-one,4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (-)-) Related Products
- 1322-70-9(methyl ionone gamma)
- 79-69-6(4-(2,5,6,6-Tetramethylcyclohex-2-en-1-yl)but-3-en-2-one)
- 127-41-3(a-Ionone (>90%))
- 7779-30-8(1-Penten-3-one,1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
Recommended suppliers
Shaanxi pure crystal photoelectric technology co. LTD
Gold Member
Audited Supplier
CN Supplier
Reagent
Yunnanjiuzhen
Gold Member
Audited Supplier
CN Supplier
Bulk
Shenzhen Jianxing Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Reagent
Shandong Jing Kun Chemical Co.,Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Nanjing Jubai Biopharm
Gold Member
Audited Supplier
CN Supplier
Bulk
