Cas no 27213-78-1 (tert-Butylcatechol)
tert-Butylcatechol structure
Product Name:tert-Butylcatechol
CAS No:27213-78-1
MF:C10H14O2
MW:166.216963291168
CID:53096
Update Time:2024-01-24
tert-Butylcatechol Chemical and Physical Properties
Names and Identifiers
-
- tert-Butylcatechol
- (1,1-Dimethylethyl)-2-benzenediol
- 4-TERT-BUTYLCATECHOL
- 2-Benzenediol,(1,1-dimethylethyl)-1
- tert-butylpyrocatechol
- 1,2-Benzenediol, (1,1-dimethylethyl)-
-
- Inchi： 1S/C10H14O2/c1-10(2,3)7-4-5-8(11)9(12)6-7/h4-6,11-12H,1-3H3
- InChI Key： XESZUVZBAMCAEJ-UHFFFAOYSA-N
- SMILES： C(C)(C)(C)C1C=CC(O)=C(O)C=1
Computed Properties
- Exact Mass: 166.09942
- Monoisotopic Mass: 166.09938
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 148
- 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
- Topological Polar Surface Area: 40.5
Experimental Properties
- Density: 1.086
- Melting Point: 55 °C
- Boiling Point: 265.6°Cat760mmHg
- Flash Point: 122.5°C
- PSA: 40.46
tert-Butylcatechol Security Information
- Hazardous Material transportation number：2811
- HazardClass：6.1(b)
- PackingGroup：III
tert-Butylcatechol Related Literature
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Adolfo Henríquez,Pablo Salgado,Milenka Albornoz,Victoria Melín,Héctor D. Mansilla,Lorena Cornejo-Ponce,David Contreras New J. Chem. 2021 45 15912
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Pablo Salgado,David Contreras,Héctor D. Mansilla,Katherine Márquez,Gladys Vidal,Carlos J. Cobos,Daniel O. Mártire New J. Chem. 2017 41 12685
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Julien Polleux,Markus Antonietti,Markus Niederberger J. Mater. Chem. 2006 16 3969
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Cheng-Chu Zeng,Da-Wei Ping,Li-Ming Hu,Xiu-Qing Song,Ru-Gang Zhong Org. Biomol. Chem. 2010 8 2465
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Babak Karimi,Hesam Behzadnia,Mohammad Rafiee,Hojatollah Vali Chem. Commun. 2012 48 2776
27213-78-1 (tert-Butylcatechol) Related Products
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- 89-83-8(Thymol)
- 128–37–0(2,6-Di-tert-butyl-4-methylphenol)
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