Cas no 5953-49-1 (2-Hexanol, 2-acetate)
2-Hexanol, 2-acetate structure
Product Name:2-Hexanol, 2-acetate
CAS No:5953-49-1
MF:C8H16O2
MW:144.211442947388
CID:377177
Update Time:2026-05-14
2-Hexanol, 2-acetate Chemical and Physical Properties
Names and Identifiers
-
- 2-Hexanol, 2-acetate
- 1-methylpentyl acetate
- hexan-2-yl acetate
- 2-Hexyl acetate
-
Computed Properties
- Exact Mass: 144.11508
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 5
- Complexity: 99.4
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 2.3
Experimental Properties
- Density: 0.8805
- Melting Point: -80.9°C (estimate)
- Boiling Point: 162.84°C (estimate)
- Refractive Index: 1.3980
- PSA: 26.3
2-Hexanol, 2-acetate Security Information
- Hazardous Material transportation number：1993
- HazardClass：3.2
- PackingGroup：III
2-Hexanol, 2-acetate Related Literature
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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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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