Cas no 630096-59-2 (1-Octyne-3,5-diol, 4,7-dimethyl-, (3R,4S,5R)-)
630096-59-2 structure
Product Name:1-Octyne-3,5-diol, 4,7-dimethyl-, (3R,4S,5R)-
CAS No:630096-59-2
MF:C10H18O2
MW:170.248723506927
CID:1648843
Update Time:2024-09-12
1-Octyne-3,5-diol, 4,7-dimethyl-, (3R,4S,5R)- Chemical and Physical Properties
Names and Identifiers
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- 1-Octyne-3,5-diol, 4,7-dimethyl-, (3R,4S,5R)-
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- Inchi： 1S/C10H18O2/c1-5-9(11)8(4)10(12)6-7(2)3/h1,7-12H,6H2,2-4H3/t8-,9+,10-/m1/s1
- InChI Key： OWOMMSUWHUGACI-KXUCPTDWSA-N
- SMILES： C#C[C@H](O)[C@@H](C)[C@H](O)CC(C)C
Computed Properties
- Exact Mass: 170.13074
Experimental Properties
- Density: 0.979±0.06 g/cm3(Predicted)
- Boiling Point: 280.2±20.0 °C(Predicted)
- PSA: 40.46
- pka: 12.89±0.20(Predicted)
1-Octyne-3,5-diol, 4,7-dimethyl-, (3R,4S,5R)- Related Literature
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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