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4-Propylphenol - ≥99.0%(GC), high purity , CAS No.645-56-7
Basic Description
Synonyms
UNII-H27VG833JY | 4-propylphenole | FT-0619321 | NSC 65647 | Phenol, p-propyl-, | 4-PROPYLPHENOL | 4-Propyl-phenol | PROPYLPHENOL, P- | W-104827 | FEMA No. 3649 | TS-01760 | Tox21_302642 | P0698 | 4-n-Propylphenol | 6-CYANOHEXYLZINCBROMIDE | EINECS 211-44
Specifications & Purity
≥99%(GC)
Storage Temp
Room temperature,Argon charged
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenylpropanes
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpropanes
Alternative Parents
1-hydroxy-2-unsubstituted benzenoids Organooxygen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenylpropane - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety.
External Descriptors
alkylbenzene
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
4-propylphenol
INCHI
InChI=1S/C9H12O/c1-2-3-8-4-6-9(10)7-5-8/h4-7,10H,2-3H2,1H3
InChIKey
KLSLBUSXWBJMEC-UHFFFAOYSA-N
Smiles
CCCC1=CC=C(C=C1)O
Isomeric SMILES
CCCC1=CC=C(C=C1)O
WGK Germany
3
RTECS
SM8610000
PubChem CID
12580
Molecular Weight
136.19
Beilstein
6(2)469
Reaxy-Rn
1363429
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Slightly soluble in water; Soluble in Alcohol
Sensitivity
air sensitive
Refractive Index
1.52
Flash Point(°F)
222.8 °F
Flash Point(°C)
106 °C
Boil Point(°C)
232°C
Melt Point(°C)
20-22°C
Molecular Weight
136.190 g/mol
XLogP3
3.200
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
2
Exact Mass
136.089 Da
Monoisotopic Mass
136.089 Da
Topological Polar Surface Area
20.200 Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
82.700
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
Citations of This Product
1.
Baoyu Wang, Peng Zhou, Ximing Yan, Hu Li, Hongguo Wu, Zehui Zhang.
(2023)
Cooperative catalysis of Co single atoms and nanoparticles enables selective CAr−OCH3 cleavage for sustainable production of lignin-based cyclohexanols. Journal of Energy Chemistry,
79
(535).
2.
Yu Hongxiang, Chen Haijie, Zheng Zhiwen, Qiao Dan, Feng Dapeng, Gong Zhenbin, Dong Guojun.
(2023)
Effect of functional groups on tribological properties of lubricants and mechanism investigation. Friction,
11
(6):
(911-926).
3.
Guo Dengkang, Yang Sheng, Fu Feng, Guo Nai, Li Gaiyun, Chu Fuxiang.
(2022)
Modification mechanism of plantation wood via grafting epoxy monomers onto cell walls. WOOD SCIENCE AND TECHNOLOGY,
56
(3):
(813-831).
4.
Jinshu Huang, Yumei Jian, Hu Li, Zhen Fang.
(2022)
Lignin-derived layered 3D biochar with controllable acidity for enhanced catalytic upgrading of Jatropha oil to biodiesel. CATALYSIS TODAY,
404
(35).
5.
Xiaotong Xu, Jing Kang, Jimin Shen, Shengxin Zhao, Binyuan Wang, Pengwei Yan, Qinglong Fu, Zhonglin Chen.
(2022)
Formation pathway of disinfection by-products of lignin monomers in raw water during disinfection. SCIENCE OF THE TOTAL ENVIRONMENT,
825
(153706).
6.
Dazhen Xiong, Qian Zhang, Wenjie Ma, Yang Wang, Wenrui Wan, Yunlei Shi, Jianji Wang.
(2021)
Temperature-switchable deep eutectic solvents for selective separation of aromatic amino acids in water. SEPARATION AND PURIFICATION TECHNOLOGY,
265
(118479).
7.
Xiaohao Liu, Chenguang Wang, Ying Zhang, Yan Qiao, Yang Pan, Longlong Ma.
(2019)
Selective Preparation of 4-Alkylphenol from Lignin-Derived Phenols and Raw Biomass over Magnetic Co–Fe@N-Doped Carbon Catalysts. ChemSusChem,
12
(21):
(4791-4798).
8.
Meng-Yuan Chen, Yao-Bing Huang, Huan Pang, Xin-Xin Liu, Yao Fu.
(2015)
Hydrodeoxygenation of lignin-derived phenols into alkanes over carbon nanotube supported Ru catalysts in biphasic systems. GREEN CHEMISTRY,
17
(3):
(1710-1717).
9.
Yangyang Xin, Dechao Wang, Weirui Zhang, Fangfang Su, Yisong Liu, Yaru Lu, Wendi Fan, Dongdong Yao, Yaping Zheng.
(2025)
Dissolution of Metal Organic Cage in Deep Eutectic Solvent: A Solution for Preparing Type II Porous Liquids. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,
64
(13):
(7044-7055).
10.
Yanyan Yu, Yilin Li, Yuhan Lou, Mengyuan Chen, Yongzhuang Liu, Haipeng Yu.
(2025)
Tunable Transfer-Hydrodeoxygenated Upgrading of Lignin-Derived Propylphenols to Versatile Value-Added Alkane-Based Chemicals. Advanced Science,
(2500687).
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10 Citations
I2311253