Cas no 3329-48-4 (1-Hexen-3-ol,3,5-dimethyl-)
1-Hexen-3-ol,3,5-dimethyl- structure
Product Name:1-Hexen-3-ol,3,5-dimethyl-
1-Hexen-3-ol,3,5-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1-Hexen-3-ol,3,5-dimethyl-
- 3,5-dimethylhex-1-en-3-ol
- 3,5-Dimethyl-1-hexen-3-ol
- 3,5-dimethyl-hex-1-en-3-ol
- 3,5-Dimethyl-hexen-(1)-ol-(3)
- 3,5-Dimethyl-hexen-3-ol
- AC1L2TZG
- AC1Q718X
- AI3-25142
- AR-1E9768
- CTK8D5951
- EINECS 222-052-5
- SCHEMBL545025
- 1-Hexen-3-ol, 3,5-dimethyl-
- NS00049541
- 3329-48-4
- DTXSID60863153
- AKOS026736231
-
- Inchi： 1S/C8H16O/c1-5-8(4,9)6-7(2)3/h5,7,9H,1,6H2,2-4H3
- InChI Key： AOOGNPSUQVRFMF-UHFFFAOYSA-N
- SMILES： OC(C=C)(C)CC(C)C
Computed Properties
- Exact Mass: 128.12018
- Monoisotopic Mass: 128.12
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 3
- Complexity: 96.7
- 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
- XLogP3: 2.1
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- Density: 0.8646 (estimate)
- Melting Point: -31.5°C (estimate)
- Boiling Point: 202.67°C (estimate)
- Flash Point: 40.1°C
- Refractive Index: 1.4339 (estimate)
- PSA: 20.23
- LogP: 1.96950
1-Hexen-3-ol,3,5-dimethyl- Related Literature
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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2. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Chen Long,Ying Dai,Jianwei Li,Hao Jin Nanoscale, 2020,12, 21124-21130
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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