Cas no 142060-00-2 (2H-1-Benzopyran-6-ol,2,8-dimethyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrien-1-yl]-)
![2H-1-Benzopyran-6-ol,2,8-dimethyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrien-1-yl]- structure](https://ossimg.kuujia.com/scimg/142500/142060-00-2x500.png)
142060-00-2 structure
Product Name:2H-1-Benzopyran-6-ol,2,8-dimethyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrien-1-yl]-
CAS No:142060-00-2
MF:C27H38O2
MW:394.589428424835
CID:150338
Update Time:2024-03-01
2H-1-Benzopyran-6-ol,2,8-dimethyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrien-1-yl]- Chemical and Physical Properties
Names and Identifiers
-
- 2H-1-Benzopyran-6-ol,2,8-dimethyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrien-1-yl]-
- 2H-1-Benzopyran-6-ol,2,8-dimethyl-2-(4,8,12-trimethyl-3,7,11-tridecatrienyl)-, (E,E)-
- 2H-1-Benzopyran-6-ol,2,8-dimethyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrienyl]- (9CI)
- Sargaol
- 2H-1-Benzopyran-6-ol, 2,8-dimethyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrien-1-yl]-
-
- Inchi： 1S/C27H38O2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-16-27(6)17-15-24-19-25(28)18-23(5)26(24)29-27/h10,12,14-15,17-19,28H,7-9,11,13,16H2,1-6H3/b21-12+,22-14+
- InChI Key： FUBVHBMZMUOIOJ-QRCIITMISA-N
- SMILES： C1(C)(CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/C)OC2=C(C)C=C(O)C=C2C=C1
Computed Properties
- Exact Mass: 394.28734
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 29
- XLogP3: 7.36
Experimental Properties
- Density: 0.980±0.06 g/cm3(Predicted)
- Boiling Point: 518.2±50.0 °C(Predicted)
- PSA: 29.46
- pka: 10.36±0.40(Predicted)
2H-1-Benzopyran-6-ol,2,8-dimethyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrien-1-yl]- Related Literature
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
-
Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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