Cas no 113807-90-2 (1H-Benzocycloheptene-3-methanol,2,4a,5,6,7,8,9,9a-octahydro-5,5-dimethyl-9-methylene- (9CI))
113807-90-2 structure
Product Name:1H-Benzocycloheptene-3-methanol,2,4a,5,6,7,8,9,9a-octahydro-5,5-dimethyl-9-methylene- (9CI)
CAS No:113807-90-2
MF:C15H24O
MW:220.350464820862
CID:170122
Update Time:2024-03-01
1H-Benzocycloheptene-3-methanol,2,4a,5,6,7,8,9,9a-octahydro-5,5-dimethyl-9-methylene- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1H-Benzocycloheptene-3-methanol,2,4a,5,6,7,8,9,9a-octahydro-5,5-dimethyl-9-methylene- (9CI)
- (-)-a-Torosol
- a-Torosol
- 1H-Benzocycloheptene-3-methanol, 2,4a,5,6,7,8,9,9a-octahydro-5,5-dimethyl-9-methylene- (9CI)
-
- Inchi： 1S/C15H24O/c1-11-5-4-8-15(2,3)14-9-12(10-16)6-7-13(11)14/h9,13-14,16H,1,4-8,10H2,2-3H3
- InChI Key： MEEBLBVTPMZTSU-UHFFFAOYSA-N
- SMILES： C12C=C(CO)CCC1C(=C)CCCC2(C)C
Computed Properties
- Exact Mass: 272.08309
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 16
- XLogP3: 4.159
Experimental Properties
- Density: 0.97±0.1 g/cm3(Predicted)
- Boiling Point: 322.3±21.0 °C(Predicted)
- PSA: 52.54
- pka: 14.82±0.10(Predicted)
1H-Benzocycloheptene-3-methanol,2,4a,5,6,7,8,9,9a-octahydro-5,5-dimethyl-9-methylene- (9CI) Related Literature
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S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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