Cas no 99799-31-2 (3,4-Octanediol)
3,4-Octanediol structure
Product Name:3,4-Octanediol
CAS No:99799-31-2
MF:C8H18O2
MW:146.227323055267
CID:750057
PubChem ID:13129598
Update Time:2025-04-19
3,4-Octanediol Chemical and Physical Properties
Names and Identifiers
-
- 3,4-Octanediol
- octane-3,4-diol
- DTXSID80520594
- erythro-octane-3,4-diol
- SCHEMBL427800
- 99799-31-2
-
- Inchi： 1S/C8H18O2/c1-3-5-6-8(10)7(9)4-2/h7-10H,3-6H2,1-2H3
- InChI Key： UJWVPVVMYOBBIY-UHFFFAOYSA-N
- SMILES： OC(C(CC)O)CCCC
Computed Properties
- Exact Mass: 146.130679813g/mol
- 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: 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: 1.7
- Topological Polar Surface Area: 40.5?2
3,4-Octanediol Related Literature
-
Xin Li,Liangliang Zhu,Sai Duan,Yanli Zhao,Hans ?gren Phys. Chem. Chem. Phys., 2014,16, 23854-23860
-
Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
-
Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
-
Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
-
Patricia A. A. M. Vaz,Jo?o Rocha,Artur M. S. Silva New J. Chem., 2016,40, 8198-8201
Recommended suppliers
Shaanxi pure crystal photoelectric technology co. LTD
Gold Member
Audited Supplier
CN Supplier
Reagent
Hangzhou Cedareal Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Shandong Feiyang Chemical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Hubei Cuiyuan Biotechnology Co.,Ltd
Gold Member
Audited Supplier
CN Supplier
Reagent
上海帛亦醫(yī)藥科技有限公司
Gold Member
Audited Supplier
CN Supplier
Reagent