Cas no 3594-91-0 ([1,1'-Biphenyl]-2,2'-dimethanol,6,6'-dimethyl-)
![[1,1'-Biphenyl]-2,2'-dimethanol,6,6'-dimethyl- structure](https://ossimg.kuujia.com/scimg/4000/3594-91-0x500.png)
3594-91-0 structure
Product Name:[1,1'-Biphenyl]-2,2'-dimethanol,6,6'-dimethyl-
CAS No:3594-91-0
MF:C16H18O2
MW:242.312924861908
CID:320352
PubChem ID:338539
Update Time:2025-04-19
[1,1'-Biphenyl]-2,2'-dimethanol,6,6'-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- [1,1'-Biphenyl]-2,2'-dimethanol,6,6'-dimethyl-
- [2-[2-(hydroxymethyl)-6-methylphenyl]-3-methylphenyl]methanol
- 2,2'-Bis-hydroxymethyl-6,6'-dimethyl-biphenyl
- 6,6'-dimethyl-2,2'-dihydroxymethylbiphenyl
- AC1L7O23
- NSC361609
- (6,6'-Dimethyl[1,1'-biphenyl]-2,2'-diyl)dimethanol
- DTXSID00320578
- NSC-361609
- (6,6'-Dimethyl-2,2'-biphenyldiyl)dimethanol
- SCHEMBL14145347
- 3594-91-0
-
- Inchi： 1S/C16H18O2/c1-11-5-3-7-13(9-17)15(11)16-12(2)6-4-8-14(16)10-18/h3-8,17-18H,9-10H2,1-2H3
- InChI Key： APVANCOMZWSFHA-UHFFFAOYSA-N
- SMILES： OCC1C=CC=C(C)C=1C1C(C)=CC=CC=1CO
Computed Properties
- Exact Mass: 242.13074
- Monoisotopic Mass: 242.131
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 228
- 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: 2.5
- Topological Polar Surface Area: 40.5?2
Experimental Properties
- Density: 1.127
- Boiling Point: 419°C at 760 mmHg
- Flash Point: 199.3°C
- Refractive Index: 1.598
- PSA: 40.46
- LogP: 2.95500
[1,1'-Biphenyl]-2,2'-dimethanol,6,6'-dimethyl- Related Literature
-
M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
-
Shivani Sharma,Chia-Ming Wu,Ranjit T. Koodali,N. Rajesh RSC Adv., 2016,6, 26668-26678
-
Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
-
Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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