Cas no 61799-89-1 (Benzoic acid, 4-(2-methylbutoxy)-)
61799-89-1 structure
Product Name:Benzoic acid, 4-(2-methylbutoxy)-
CAS No:61799-89-1
MF:C12H16O3
MW:208.253643989563
CID:465757
PubChem ID:5151059
Update Time:2025-04-19
Benzoic acid, 4-(2-methylbutoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 4-(2-methylbutoxy)-
- 4-(2-methylbutoxy)benzoic acid
- AKOS011384042
- SCHEMBL7696449
- DTXSID20408847
- 61799-89-1
-
- Inchi： 1S/C12H16O3/c1-3-9(2)8-15-11-6-4-10(5-7-11)12(13)14/h4-7,9H,3,8H2,1-2H3,(H,13,14)
- InChI Key： ZVXVOVQIWRACRK-UHFFFAOYSA-N
- SMILES： O(C1C=CC(C(=O)O)=CC=1)CC(C)CC
Computed Properties
- Exact Mass: 208.10998
- Monoisotopic Mass: 208.109944368g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 195
- 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
- XLogP3: 3.7
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- PSA: 46.53
Benzoic acid, 4-(2-methylbutoxy)- Related Literature
-
David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
61799-89-1 (Benzoic acid, 4-(2-methylbutoxy)-) Related Products
- 15872-43-2(4-(N-Nonyloxy)Benzoic Acid)
- 15872-44-3(4-Undecyloxybenzoic Acid)
- 15872-48-7(p-Hexadecyloxybenzoic Acid)
- 1498-96-0(4-Butoxybenzoic acid)
- 2493-84-7(4-N-Octyloxybenzoic Acid)
- 15872-41-0(4-N-Pentyloxybenzoic Acid)
- 1142-39-8(4-(Hexyloxy)benzoic Acid)
- 2312-15-4(4-(Dodecyloxy)benzoic acid)
- 15872-42-1(4-(Heptyloxy)benzoic Acid)
- 5519-23-3(4-(Decyloxy)benzoic acid)
Recommended suppliers
Hunan Well Medicine Synthesis Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Reagent
Shenzhen Yaoyuan R&D Center Co.,Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Shanghai Bent Chemical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Changzhou Guanjia Chemical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Zhengzhou Baoyu Pharmaceutical Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
