Cas no 5333-52-8 (1-(butoxymethyl)-4-methoxybenzene)
5333-52-8 structure
Product Name:1-(butoxymethyl)-4-methoxybenzene
CAS No:5333-52-8
MF:C12H18O2
MW:194.270123958588
CID:1581982
PubChem ID:220121
Update Time:2025-04-21
1-(butoxymethyl)-4-methoxybenzene Chemical and Physical Properties
Names and Identifiers
-
- 1-(butoxymethyl)-4-methoxybenzene
- 4-methoxybenzyl n-butyl ether
- AG-J-30174
- CTK4J7631
- 1-(butoxymethyl)-4-methoxybenzeneb
- butyl (4-methoxyphenyl)methyl ether
- KST-1B5879
- AC1L5883
- 4-methoxybenzyl butyl ether
- AR-1B2763
- 1-butoxymethyl-4-methoxy-benzene
- NSC2415
- AC1Q571G
- n-butyl p-methoxybenzyl ether
- 4-methoxybenzyl n-butyl ether; AG-J-30174; CTK4J7631; 1-(butoxymethyl)-4-methoxybenzeneb; butyl (4-methoxyphenyl)methyl ether; KST-1B5879; AC1L5883; 4-methoxybenzyl butyl ether; AR-1B2763; 1-butoxymethyl-4-methoxy-benzene; NSC2415; AC1Q571G; n-butyl p-methoxybenzyl ether;
- DTXSID60277458
- CWTASUFNGJFIMV-UHFFFAOYSA-N
- 4-(BUTOXYMETHYL)-1-METHOXYBENZENE
- 4-Methoxybenzyl alcohol, n-butyl ether
- SCHEMBL15233070
- 5333-52-8
- NSC-2415
- NSC 2415
-
- Inchi： 1S/C12H18O2/c1-3-4-9-14-10-11-5-7-12(13-2)8-6-11/h5-8H,3-4,9-10H2,1-2H3
- InChI Key： CWTASUFNGJFIMV-UHFFFAOYSA-N
- SMILES： O(CC1C=CC(=CC=1)OC)CCCC
Computed Properties
- Exact Mass: 194.13074
- Monoisotopic Mass: 194.131
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 6
- Complexity: 128
- 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: 2.8
- Topological Polar Surface Area: 18.5?2
Experimental Properties
- Density: 0.961
- Boiling Point: 262°C at 760 mmHg
- Flash Point: 91.2°C
- Refractive Index: 1.486
- PSA: 18.46
- LogP: 3.01190
1-(butoxymethyl)-4-methoxybenzene Related Literature
-
Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
-
Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
-
Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
-
Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
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