Cas no 5453-34-9 (9-(tetrahydrofuran-2-yl)nonane-1,4,7-triyl trioctanoate)
5453-34-9 structure
Product Name:9-(tetrahydrofuran-2-yl)nonane-1,4,7-triyl trioctanoate
CAS No:5453-34-9
MF:C37H68O7
MW:624.931632995605
CID:941775
PubChem ID:227231
Update Time:2025-04-19
9-(tetrahydrofuran-2-yl)nonane-1,4,7-triyl trioctanoate Chemical and Physical Properties
Names and Identifiers
-
- 9-(tetrahydrofuran-2-yl)nonane-1,4,7-triyl trioctanoate
- [4,7-di(octanoyloxy)-9-(oxolan-2-yl)nonyl] octanoate
- NSC-18575
- NSC18575
- 5453-34-9
- 3,6,9-tris-(octanoyloxy)-1-tetrahydro-furan-2-yl-nonane
- DTXSID80280787
-
- Inchi： 1S/C37H68O7/c1-4-7-10-13-16-23-35(38)42-31-20-22-33(43-36(39)24-17-14-11-8-5-2)28-29-34(27-26-32-21-19-30-41-32)44-37(40)25-18-15-12-9-6-3/h32-34H,4-31H2,1-3H3
- InChI Key： HVHIBEABFIOHNU-UHFFFAOYSA-N
- SMILES： O1CCCC1CCC(CCC(CCCOC(CCCCCCC)=O)OC(CCCCCCC)=O)OC(CCCCCCC)=O
Computed Properties
- Exact Mass: 624.49674
- Monoisotopic Mass: 624.497
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 44
- Rotatable Bond Count: 33
- Complexity: 710
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 11.6
- Topological Polar Surface Area: 88.1?2
Experimental Properties
- Density: 0.976
- Boiling Point: 662.4°C at 760 mmHg
- Flash Point: 264.6°C
- Refractive Index: 1.468
- PSA: 88.13
9-(tetrahydrofuran-2-yl)nonane-1,4,7-triyl trioctanoate Related Literature
-
Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
-
Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
-
Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
-
Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
Recommended suppliers
Shanghai Hongxiang Biomedical Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
鉅瀾化工科技(青島)有限公司
Gold Member
Audited Supplier
CN Supplier
Bulk
Zhangzhou Sinobioway Peptide Co.,Ltd.
Gold Member
Audited Supplier
CN Supplier
Reagent
Amadis Chemical Company Limited
Gold Member
Audited Supplier
CN Supplier
Reagent
Shaanxi pure crystal photoelectric technology co. LTD
Gold Member
Audited Supplier
CN Supplier
Reagent
