Cas no 111153-21-0 (Benzoic acid, 4-hydroxy-, (1S)-1-methylheptyl ester)
111153-21-0 structure
Product Name:Benzoic acid, 4-hydroxy-, (1S)-1-methylheptyl ester
CAS No:111153-21-0
MF:C15H22O3
MW:250.333384990692
CID:1196770
Update Time:2024-08-02
Benzoic acid, 4-hydroxy-, (1S)-1-methylheptyl ester Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid, 4-hydroxy-, (1S)-1-methylheptyl ester
- [(2S)-octan-2-yl] 4-hydroxybenzoate
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- Inchi： 1S/C15H22O3/c1-3-4-5-6-7-12(2)18-15(17)13-8-10-14(16)11-9-13/h8-12,16H,3-7H2,1-2H3/t12-/m0/s1
- InChI Key： JNXAOLWWDAIBSE-LBPRGKRZSA-N
- SMILES： C(O[C@@H](C)CCCCCC)(=O)C1=CC=C(O)C=C1
Computed Properties
- Exact Mass: 250.15696
Experimental Properties
- Density: 1.035±0.06 g/cm3(Predicted)
- Melting Point: 44-46 °C(Solv: hexane (110-54-3))
- Boiling Point: 362.6±15.0 °C(Predicted)
- PSA: 46.53
- pka: 8.18±0.15(Predicted)
Benzoic acid, 4-hydroxy-, (1S)-1-methylheptyl ester Related Literature
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
111153-21-0 (Benzoic acid, 4-hydroxy-, (1S)-1-methylheptyl ester) Related Products
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- 1219-38-1(N-Octyl 4-Hydroxybenzoate)
- 6521-29-5(Pentyl Paraben)
- 1083-27-8(Hexyl 4-hydroxybenzoate)
- 17696-61-6(Butan-2-yl 4-Hydroxybenzoate)
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- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
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