Cas no 124285-98-9 (Phen-2,4,6-d3-ol,3,5-dimethyl-)
124285-98-9 structure
Product Name:Phen-2,4,6-d3-ol,3,5-dimethyl-
CAS No:124285-98-9
MF:C8H10O
MW:125.182887554169
CID:103827
PubChem ID:15620614
Update Time:2025-04-18
Phen-2,4,6-d3-ol,3,5-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Phen-2,4,6-d3-ol,3,5-dimethyl-
- 3,5-DIMETHYLPHENOL-2,4,6-D3
- 3,5-Dimethylphenol-2,4,6-d3, 98 atom % D
- 3,5-Dimethyl(~2~H_3_)phenol
- 124285-98-9
- 2,4,6-trideuterio-3,5-dimethylphenol
- DTXSID90575893
-
- Inchi： 1S/C8H10O/c1-6-3-7(2)5-8(9)4-6/h3-5,9H,1-2H3/i3D,4D,5D
- InChI Key： TUAMRELNJMMDMT-QGZYMEECSA-N
- SMILES： OC1C([2H])=C(C)C([2H])=C(C)C=1[2H]
Computed Properties
- Exact Mass: 125.091995176g/mol
- Monoisotopic Mass: 125.091995176g/mol
- Isotope Atom Count: 3
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 80.6
- 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
- Surface Charge: 0
- Tautomer Count: 10
- XLogP3: nothing
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- Melting Point: 65-66?°C(lit.)
- Boiling Point: 222?°C(lit.)
Phen-2,4,6-d3-ol,3,5-dimethyl- Security Information
- Hazardous Material transportation number：UN 2261 6.1/PG 2
- Hazard Category Code： 24/25-34
- Safety Instruction： 26-28-36/37/39-45
- RTECS：ZE6475000
-
Hazardous Material Identification：
- Risk Phrases：R24/25-34
- Safety Term：S26-28-36/37/39-45
Phen-2,4,6-d3-ol,3,5-dimethyl- Related Literature
-
Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
-
R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
-
Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
-
Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
-
Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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