Cas no 24305-58-6 ( )
structure
Product Name:
CAS No:24305-58-6
MF:C22H38O2
MW:334.535927295685
CID:913003
PubChem ID:292658
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
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- NSC-158571
- NSC158571
- NSC 158571
- DTXSID30303495
- 4-Palmitylresorcin
- 4-hexadecylbenzene-1,3-diol
- 24305-58-6
-
-
- Inchi: 1S/C22H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-18-21(23)19-22(20)24/h17-19,23-24H,2-16H2,1H3
- InChI Key: PGGPTJYXIJVFPQ-UHFFFAOYSA-N
- SMILES: OC1C=C(C=CC=1CCCCCCCCCCCCCCCC)O
Computed Properties
- Exact Mass: 334.28734
- Monoisotopic Mass: 334.287
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 24
- Rotatable Bond Count: 15
- Complexity: 267
- 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: 8.9
- Topological Polar Surface Area: 40.5?2
Experimental Properties
- Density: 0.955
- Boiling Point: 466.4°C at 760 mmHg
- Flash Point: 199.7°C
- Refractive Index: 1.508
- PSA: 40.46
Related Literature
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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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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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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