Cas no 16404-66-3 (2,5-Cyclohexadien-1-one,4-hydroxy-2,4,6-trimethyl-)
16404-66-3 structure
Product Name:2,5-Cyclohexadien-1-one,4-hydroxy-2,4,6-trimethyl-
CAS No:16404-66-3
MF:C9H12O2
MW:152.190382957458
CID:221199
PubChem ID:327234
Update Time:2025-04-19
2,5-Cyclohexadien-1-one,4-hydroxy-2,4,6-trimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 2,5-Cyclohexadien-1-one,4-hydroxy-2,4,6-trimethyl-
- 4-hydroxy-2,4,6-trimethylcyclohexa-2,5-dien-1-one
- 2,4,6-Trimethyl-4-hydroxy-2,5-cyclohexadienone
- 4-hydroxy-2,4,6-trimethyl-2,5-cyclohexadien-1-one
- 4-hydroxy-2,4,6-trimethyl-2,5-cyclohexadiene-1-one
- 4-hydroxy-2,4,6-trimethyl-2,5-cyclohexadienone
- 4-hydroxy-2,4,6-trimethylcyclohexa-2,5-dienone
- 6-trimethylcyclohexa-2
- AC1L702C
- NSC301464
- SCHEMBL10705052
- NSC-301464
- 16404-66-3
- DTXSID70316261
- ULGPAXANYFUWRP-UHFFFAOYSA-N
-
- Inchi： 1S/C9H12O2/c1-6-4-9(3,11)5-7(2)8(6)10/h4-5,11H,1-3H3
- InChI Key： ULGPAXANYFUWRP-UHFFFAOYSA-N
- SMILES： OC1(C)C=C(C)C(C(C)=C1)=O
Computed Properties
- Exact Mass: 152.08376
- Monoisotopic Mass: 152.084
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 237
- 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: 0.9
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- Density: 1.08
- Boiling Point: 273.1°C at 760 mmHg
- Flash Point: 114°C
- Refractive Index: 1.516
- PSA: 37.3
- LogP: 1.21270
2,5-Cyclohexadien-1-one,4-hydroxy-2,4,6-trimethyl- Related Literature
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
-
Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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