- 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 20667-04-3 (2-ethylhexane-1,2-diol)
2-ethylhexane-1,2-diol structure
Product Name:2-ethylhexane-1,2-diol
CAS No:20667-04-3
MF:C8H18O2
MW:146.227323055267
CID:1399530
PubChem ID:242933
Update Time:2025-04-20
2-ethylhexane-1,2-diol Chemical and Physical Properties
Names and Identifiers
-
- 2-ethylhexane-1,2-diol
- 1,2-Dihydroxy-2-ethylhexan
- AR-1E1552
- CTK4E4826
- 2-ethyl-1,2-hexanediol
- NSC51965
- 2-Aethyl-hexan-1,2-diol
- AG-K-86120
- AC1Q7BOI
- AC1L6AHG
- 2-ethyl-hexane-1,2-diol
- 1,2-Dihydroxy-2-ethylhexan; AR-1E1552; CTK4E4826; 2-ethyl-1,2-hexanediol; NSC51965; 2-Aethyl-hexan-1,2-diol; AG-K-86120; AC1Q7BOI; AC1L6AHG; 2-ethyl-hexane-1,2-diol;
- NACLMQVDUHEFQS-UHFFFAOYSA-N
- 20667-04-3
- DTXSID60287653
- NSC-51965
- DS-013231
- AKOS021031670
- SCHEMBL431427
-
- Inchi: 1S/C8H18O2/c1-3-5-6-8(10,4-2)7-9/h9-10H,3-7H2,1-2H3
- InChI Key: NACLMQVDUHEFQS-UHFFFAOYSA-N
- SMILES: OC(CO)(CC)CCCC
Computed Properties
- Exact Mass: 146.13074
- Monoisotopic Mass: 146.130679813g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 5
- Complexity: 83.3
- 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: 1.4
- Topological Polar Surface Area: 40.5?2
Experimental Properties
- PSA: 40.46
- LogP: 1.31000
2-ethylhexane-1,2-diol 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
2-ethylhexane-1,2-diol Raw materials
2-ethylhexane-1,2-diol Preparation Products
2-ethylhexane-1,2-diol Related Literature
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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
-
Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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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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5. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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