Cas no 817210-89-2 (Benzoic acid, 4-hydroxy-, 2-propylpentyl ester)
817210-89-2 structure
Product Name:Benzoic acid, 4-hydroxy-, 2-propylpentyl ester
CAS No:817210-89-2
MF:C15H22O3
MW:250.333384990692
CID:703261
PubChem ID:69869117
Update Time:2025-04-19
Benzoic acid, 4-hydroxy-, 2-propylpentyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 4-hydroxy-, 2-propylpentyl ester
- 2-propylpentyl 4-hydroxybenzoate
- DTXSID70741453
- SCHEMBL6695059
- 817210-89-2
-
- Inchi： 1S/C15H22O3/c1-3-5-12(6-4-2)11-18-15(17)13-7-9-14(16)10-8-13/h7-10,12,16H,3-6,11H2,1-2H3
- InChI Key： CNQMDFDSXNSSMM-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC(=CC=1)O)=O)CC(CCC)CCC
Computed Properties
- Exact Mass: 250.15689456g/mol
- Monoisotopic Mass: 250.15689456g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 8
- Complexity: 226
- 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: 5.2
- Topological Polar Surface Area: 46.5?2
Benzoic acid, 4-hydroxy-, 2-propylpentyl ester Related Literature
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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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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
817210-89-2 (Benzoic acid, 4-hydroxy-, 2-propylpentyl ester) Related Products
- 2664-60-0(Dodecyl 4-hydroxybenzoate)
- 94-26-8(Butylparaben)
- 1085-12-7(n-Heptyl 4-Hydroxybenzoate)
- 71067-09-9(4-Hydroxybenzoic acid hexadecylester)
- 1219-38-1(N-Octyl 4-Hydroxybenzoate)
- 4247-02-3(Isobutylparaben)
- 5153-25-3(2-Ethylhexyl 4-hydroxybenzoate)
- 6521-29-5(Pentyl Paraben)
- 1083-27-8(Hexyl 4-hydroxybenzoate)
- 6521-30-8(4-Hydroxybenzoic Acid Isoamyl Ester)
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