Cas no 52340-45-1 (3-Buten-2-one,4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (3Z)-)
52340-45-1 structure
Product Name:3-Buten-2-one,4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (3Z)-
CAS No:52340-45-1
MF:C13H20O
MW:192.297304153442
CID:386239
PubChem ID:6437004
Update Time:2025-04-19
3-Buten-2-one,4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (3Z)- Chemical and Physical Properties
Names and Identifiers
-
- 3-Buten-2-one,4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (3Z)-
- (Z)-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one
- (Z)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one
- cis-Alpha-ionone
- (3Z)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one
- (Z)-ALPHA-IONONE
- NS00087415
- DTXSID101200715
- 52340-45-1
- EINECS 257-862-8
-
- 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/b8-7-
- InChI Key： UZFLPKAIBPNNCA-FPLPWBNLSA-N
- SMILES： O=C(C)/C=C\C1C(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
- Refractive Index: 1.511
- PSA: 17.07
3-Buten-2-one,4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (3Z)- Related Literature
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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2. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
52340-45-1 (3-Buten-2-one,4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (3Z)-) Related Products
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