- Benign Synthesis of 2-Ethylhexanoic Acid by Cytochrome P450cam: Enzymatic, Crystallographic, and Theoretical StudiesFrench, Kevin J.; Strickler, Michael D.; Rock, Dan A.; Rock, Denise A.; Bennett, Grace A.; et al, Biochemistry, 2001, 40(32), 9532-9538
Cas no 148904-97-6 (1,4-HEXANEDIOL, 2-ETHYL-)
1,4-HEXANEDIOL, 2-ETHYL- structure
Product Name:1,4-HEXANEDIOL, 2-ETHYL-
CAS No:148904-97-6
MF:C8H18O2
MW:146.227323055267
CID:3194825
PubChem ID:223056
Update Time:2025-04-21
1,4-HEXANEDIOL, 2-ETHYL- Chemical and Physical Properties
Names and Identifiers
-
- 1,4-HEXANEDIOL, 2-ETHYL-
- NSC-10207
- 148904-97-6
- SCHEMBL424120
- 2-ethylhexane-1,4-diol
- NSC10207
- 2-ethyl-1,4-hexanediol
-
- Inchi: 1S/C8H18O2/c1-3-7(6-9)5-8(10)4-2/h7-10H,3-6H2,1-2H3
- InChI Key: NKUSBXAXENGEJW-UHFFFAOYSA-N
- SMILES: C(O)C(CC)CC(O)CC
Computed Properties
- Exact Mass: 146.130679813Da
- Monoisotopic Mass: 146.130679813Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 5
- Complexity: 73.7
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.3
- Topological Polar Surface Area: 40.5?2
1,4-HEXANEDIOL, 2-ETHYL- Production Method
Production Method 1
Reaction Conditions
1.1 Reagents: Lactic acid , NADH , L-Lactate dehydrogenase , Putidaredoxin reductase Catalysts: Camphor 5-monooxygenase Solvents: Water
Reference
1,4-HEXANEDIOL, 2-ETHYL- Raw materials
1,4-HEXANEDIOL, 2-ETHYL- Preparation Products
1,4-HEXANEDIOL, 2-ETHYL- Related Literature
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
-
Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
-
Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
-
Yu Long,Bing Yuan,Jianrui Niu,Xin Tong,Jiantai Ma New J. Chem., 2015,39, 1179-1185
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