Cas no 4444-90-0 (1-Octadecanone,1-(2-thienyl)-)
1-Octadecanone,1-(2-thienyl)- structure
Product Name:1-Octadecanone,1-(2-thienyl)-
CAS No:4444-90-0
MF:C22H38OS
MW:350.601525783539
CID:334868
PubChem ID:349114
Update Time:2025-04-19
1-Octadecanone,1-(2-thienyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1-Octadecanone,1-(2-thienyl)-
- 1-thiophen-2-yloctadecan-1-one
- 1-(2-thienyl)octadecan-1-one
- 1-[2]thienyl-octadecan-1-one
- AC1L8AOB
- BTB12888
- NSC408674
- SureCN9046710
- SCHEMBL9046710
- AKOS024432781
- 2-OCTADECANOYLTHIOPHENE
- DTXSID30325112
- NSC-408674
- 4444-90-0
-
- Inchi： 1S/C22H38OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21(23)22-19-17-20-24-22/h17,19-20H,2-16,18H2,1H3
- InChI Key： OUMNVFUQHYWVSC-UHFFFAOYSA-N
- SMILES： S1C=CC=C1C(CCCCCCCCCCCCCCCCC)=O
Computed Properties
- Exact Mass: 350.26454
- Monoisotopic Mass: 350.264
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 24
- Rotatable Bond Count: 17
- Complexity: 290
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 10
- Topological Polar Surface Area: 45.3?2
Experimental Properties
- Density: 0.936
- Boiling Point: 456.7°Cat760mmHg
- Flash Point: 230°C
- Refractive Index: 1.492
- PSA: 17.07
- LogP: 8.19230
1-Octadecanone,1-(2-thienyl)- Related Literature
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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3. 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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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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