Cas no 27985-70-2 (Phenol,(1-methylheptyl)-)
Phenol,(1-methylheptyl)- structure
Product Name:Phenol,(1-methylheptyl)-
CAS No:27985-70-2
MF:C14H22O
MW:206.323884487152
CID:255620
PubChem ID:102693
Update Time:2025-04-19
Phenol,(1-methylheptyl)- Chemical and Physical Properties
Names and Identifiers
-
- Phenol,(1-methylheptyl)-
- (1-Methylheptyl)phenol
- EINECS 248-759-9
- EINECS 217-332-9
- 4-(octan-2-yl)phenol
- 27985-70-2
- EINECS 248-330-6
- Phenol,4-sec-octyl-(9ci)
- 27214-47-7
- DTXSID90939471
- 4-octan-2-ylphenol
- NS00007187
- Phenol, (1-methylheptyl)-
- p-s-octylphenol
- 1818-08-2
- p-(1-Methylheptyl)phenol
- p-sec-Octylphenol
- SCHEMBL4410688
-
- Inchi： 1S/C14H22O/c1-3-4-5-6-7-12(2)13-8-10-14(15)11-9-13/h8-12,15H,3-7H2,1-2H3
- InChI Key： DJQPEGRPSMOYLI-UHFFFAOYSA-N
- SMILES： OC1C=CC(=CC=1)C(C)CCCCCC
Computed Properties
- Exact Mass: 206.16716
- Monoisotopic Mass: 206.167065321g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 15
- Rotatable Bond Count: 6
- Complexity: 147
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.2
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- PSA: 20.23
Phenol,(1-methylheptyl)- Related Literature
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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5. 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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