Cas no 1333-13-7 (Mono-tert-butyl-m-cresol)
Mono-tert-butyl-m-cresol structure
Product Name:Mono-tert-butyl-m-cresol
CAS No:1333-13-7
MF:C11H16O
MW:164.244143486023
CID:1232817
Update Time:2025-04-20
Mono-tert-butyl-m-cresol Chemical and Physical Properties
Names and Identifiers
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- Mono-tert-butyl-m-cresol
- p-t-Butyl-m-cresol
- AI3-17283
- NSC 3856
- NSC-3856
- Phenol, (1,1-dimethylethyl)-3-methyl-
- UNII-0462U14DUI
- m-Cresol, tert-butyl-
- m-Cresol, tert-butyl- (8CI)
- 4-tert-butyl-3-methylphenol
- 2-tert-butyl-3-methylphenol
- p-t-Butyl-m-cresol; AI3-17283; Mono-tert-butyl-m-cresol; NSC 3856; NSC-3856; Phenol, (1,1-dimethylethyl)-3-methyl-; UNII-0462U14DUI; m-Cresol, tert-butyl-; m-Cresol, tert-butyl- (8CI); 4-tert-butyl-3-methylphenol; 2-tert-butyl-3-methylphenol
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- Inchi： 1S/C11H16O/c1-8-7-9(12)5-6-10(8)11(2,3)4/h5-7,12H,1-4H3
- InChI Key： JKINPMFPGULFQY-UHFFFAOYSA-N
- SMILES： OC1C=CC(=C(C)C=1)C(C)(C)C
Computed Properties
- Exact Mass: 164.12018
- Monoisotopic Mass: 164.120115
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 146
- 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: 3.5
- Topological Polar Surface Area: 20.2
Experimental Properties
- Density: 0.961
- Boiling Point: 234.9°C at 760 mmHg
- Flash Point: 104.6°C
- Refractive Index: 1.513
- PSA: 20.23
- LogP: 3.45470
Mono-tert-butyl-m-cresol Related Literature
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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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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Jason Wan Lab Chip, 2020,20, 4528-4538
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
1333-13-7 (Mono-tert-butyl-m-cresol) Related Products
- 88-60-8(2-tert-butyl-5-methylphenol)
- 1445-23-4(Phenol,2-(1,1-dimethylethyl)-4,5-dimethyl-)
- 1709-70-2(1,3,5-Trimethyl-2,4,6-tris(3,5-di-tert-butyl-4-hydroxybenzyl)benzene)
- 1948-33-0(tert-Butylhydroquinone)
- 88-58-4(2,5-Di-tert-butylhydroquinone)
- 2444-28-2(2,6-Bis(1,1-dimethylethyl)-1,4-benzenediol (Technical Grade))
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
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- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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