Cas no 127253-15-0 ((2R,3R)-2,3-dimethylbutane-1,4-diol)
127253-15-0 structure
Product Name:(2R,3R)-2,3-dimethylbutane-1,4-diol
CAS No:127253-15-0
MF:C6H14O2
MW:118.174162387848
CID:1225570
PubChem ID:13442278
Update Time:2025-04-20
(2R,3R)-2,3-dimethylbutane-1,4-diol Chemical and Physical Properties
Names and Identifiers
-
- (2R,3R)-2,3-dimethylbutane-1,4-diol
- 1,4-butanediol, 2,3-dimethyl-, (2R,3R)-
- LogP
- SCHEMBL4754346
- (2R,3R)-2,3-Dimethyl-1,4-butanediol
- 127253-15-0
- DTXSID001294325
- SKQUTIPQJKQFRA-WDSKDSINSA-N
-
- Inchi： 1S/C6H14O2/c1-5(3-7)6(2)4-8/h5-8H,3-4H2,1-2H3/t5-,6-/m0/s1
- InChI Key： SKQUTIPQJKQFRA-WDSKDSINSA-N
- SMILES： OC[C@H](C)[C@@H](C)CO
Computed Properties
- Exact Mass: 118.09942
- Monoisotopic Mass: 118.099379685g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 3
- Complexity: 46.5
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.4
- Topological Polar Surface Area: 40.5?2
Experimental Properties
- Density: 0.958
- Boiling Point: 211.1°C at 760 mmHg
- Flash Point: 105.4°C
- Refractive Index: 1.445
- PSA: 40.46
(2R,3R)-2,3-dimethylbutane-1,4-diol Related Literature
-
Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
-
Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
127253-15-0 ((2R,3R)-2,3-dimethylbutane-1,4-diol) Related Products
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