Cas no 68412-04-4 (1,6-Octadiene, 7-methyl-3-methylene-, acetylated)
68412-04-4 structure
Product Name:1,6-Octadiene, 7-methyl-3-methylene-, acetylated
CAS No:68412-04-4
MF:C12H20O2
MW:196.286004066467
CID:524721
Update Time:2023-11-19
1,6-Octadiene, 7-methyl-3-methylene-, acetylated Chemical and Physical Properties
Names and Identifiers
-
- 1,6-Octadiene,7-methyl-3-methylene-, acetylated
- 2-ethenyl-6-methylhept-5-en-1-yl acetate
- Acetylated myrcene
- 6-octadiene, 7-methyl-3-methylene- acetylated
- 1,6-Octadiene, 7-methyl-3-methylene-, acetylated
- 7-METHYL-3-METHYLENE-1,6-OCTADIENE ACETYLATED
- CID 132991792
- 1,6-Octadien, 7-Methyl-3-methylen-, acetyliert
- Einecs 270-162-7
- myrcene acetylated
-
- Inchi： 1S/C12H20O2/c1-5-12(9-14-11(4)13)8-6-7-10(2)3/h5,7,12H,1,6,8-9H2,2-4H3/t12-/m1/s1
- InChI Key： WZJLVKCNKMFUGH-GFCCVEGCSA-N
- SMILES： O(C(C)=O)C[C@H](C=C)CC/C=C(\C)/C
Computed Properties
- Exact Mass: 196.146
- Monoisotopic Mass: 196.146
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 7
- Complexity: 212
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 26.3
Experimental Properties
- Density: 0.896
- Boiling Point: 257.2°Cat760mmHg
- Flash Point: 90.4°C
- Refractive Index: 1.451
1,6-Octadiene, 7-methyl-3-methylene-, acetylated Related Literature
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Yingbo Li,Nada Mehio,Huizhou Liu,Sheng Dai Green Chem., 2015,17, 2981-2993
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Shivani Sharma,Chia-Ming Wu,Ranjit T. Koodali,N. Rajesh RSC Adv., 2016,6, 26668-26678
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Mengke Li,Xinyi Cai,Zhenyang Qiao,Wentao Xie,Liangying Wang,Nan Zheng,Shi-Jian Su Chem. Commun., 2019,55, 7215-7218
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