Cas no 101465-44-5 (Phenol,dimethyl(1-methylpropyl)- (9CI))
101465-44-5 structure
Product Name:Phenol,dimethyl(1-methylpropyl)- (9CI)
CAS No:101465-44-5
MF:C12H18O
MW:178.270723819733
CID:124666
PubChem ID:53437965
Update Time:2025-04-18
Phenol,dimethyl(1-methylpropyl)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Phenol,dimethyl(1-methylpropyl)- (9CI)
- 6-butan-2-yl-2,3-dimethylphenol
- sec-butylxylenol
- 6-(Butan-2-yl)-2,3-dimethylphenol
- DTXSID70701178
- 101465-44-5
-
- Inchi： 1S/C12H18O/c1-5-8(2)11-7-6-9(3)10(4)12(11)13/h6-8,13H,5H2,1-4H3
- InChI Key： HGLOZSBFNCQBLW-UHFFFAOYSA-N
- SMILES： OC1C(C)=C(C)C=CC=1C(C)CC
Computed Properties
- Exact Mass: 178.135765g/mol
- Monoisotopic Mass: 178.135765g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 155
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Molecular Weight: 178.27g/mol
- XLogP3: 4
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- PSA: 20.23000
- LogP: 3.52250
Phenol,dimethyl(1-methylpropyl)- (9CI) Security Information
- Hazardous Material transportation number：2927
- HazardClass：6.1(a)
- PackingGroup：I
Phenol,dimethyl(1-methylpropyl)- (9CI) Related Literature
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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2. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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