Cas no 72624-02-3 (Phenol, heptyl derivs.)
Phenol, heptyl derivs. structure
Product Name:Phenol, heptyl derivs.
Phenol, heptyl derivs. Chemical and Physical Properties
Names and Identifiers
-
- Phenol, heptyl derivs.
- 4-heptylphenol
- Phenol, heptenylated
- AKOS002685653
- Tox21_301548
- PHENOL, P-HEPTYL-
- F17029
- UNII-I743Z35DVB
- p-n-Heptylphenol
- BIDD:ER0405
- FT-0618580
- SCHEMBL184174
- W-107667
- P-HYDROXY-N-HEPTYLBENZENE
- 1987-50-4
- 4-Heptyl-phenol
- 72624-02-3
- H0615
- NS00015628
- I743Z35DVB
- NCGC00255407-01
- to_000013
- DTXCID209036
- CHEBI:34438
- 34D - WFD D
- CHEMBL149752
- p-Heptylphenol
- MFCD00041751
- AS-47932
- Phenol, 4-heptyl-
- p-Hydroxyheptylbenzene
- DB03941
- CAS-1987-50-4
- Q27094802
- EINECS 276-743-1
- A814024
- HEPTANYL-P-PHENOL
- 4-(Hept-1-yl)phenol
- DTXSID2037714
- 4-Heptylphenol, AldrichCPR
- SGCUT00006
- p-heptyl phenol
- EC 276-743-1
- NCGC00249614-01
- 4-n-Heptylphenol
- EINECS 217-862-0
- 4-Heptylphenol #
-
- Inchi： 1S/C13H20O/c1-2-3-4-5-6-7-12-8-10-13(14)11-9-12/h8-11,14H,2-7H2,1H3
- InChI Key： KNDDEFBFJLKPFE-UHFFFAOYSA-N
- SMILES： OC1C=CC(=CC=1)CCCCCCC
Computed Properties
- Exact Mass: 192.151
- Monoisotopic Mass: 192.151
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 6
- Complexity: 125
- 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: 4.8
- Topological Polar Surface Area: 20.2A^2
Experimental Properties
- Color/Form: Transparent brown liquid after melting point
- Density: 0.946
- Melting Point: 26-28 °C
- Boiling Point: 156 °C (9 mmHg) ,298.1 °C at 760 mmHg
- Flash Point: 160.6 °C
- Refractive Index: 1.506-1.508
- PSA: 20.23000
- LogP: 3.90510
Phenol, heptyl derivs. Related Literature
-
Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
-
Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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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
-
Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
-
Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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