Cas no 114150-57-1 (4,6-Dioxo-6-phenylhexanoic acid)
4,6-Dioxo-6-phenylhexanoic acid is a keto acid derivative characterized by its phenyl-substituted hexanoic acid backbone with carbonyl functionalities at the 4 and 6 positions. This compound is of interest in synthetic organic chemistry due to its reactive diketone moiety, which facilitates further functionalization or cyclization reactions. Its structure makes it a potential intermediate for the synthesis of pharmaceuticals, agrochemicals, or specialty materials. The presence of both ketone and carboxylic acid groups offers versatility in reactivity, enabling applications in cross-coupling, condensation, or nucleophilic addition reactions. The phenyl group enhances stability while contributing to lipophilicity, which may be advantageous in certain synthetic pathways.
114150-57-1 structure
Product Name:4,6-Dioxo-6-phenylhexanoic acid
CAS No:114150-57-1
MF:C12H12O4
MW:220.221283912659
CID:1072409
PubChem ID:14497461
Update Time:2025-06-09
4,6-Dioxo-6-phenylhexanoic acid Chemical and Physical Properties
Names and Identifiers
-
- 4,6-Dioxo-6-phenylhexanoic acid
- 4,6-dioxo-6-phenyl-hexanoic acid
- 6-phenyl-4,6-dioxohexanoic acid
- dioxophenylhexanoicacid
- J-514168
- 114150-57-1
- DTXSID30561033
- 4,6-Dioxo-6-phenylhexanoicacid
- AKOS005073868
- Benzenehexanoic acid, gamma,epsilon-dioxo-
- SCHEMBL6563638
- SS-3025
- CS-0335293
- MFCD12025948
-
- MDL： MFCD12025948
- Inchi： 1S/C12H12O4/c13-10(6-7-12(15)16)8-11(14)9-4-2-1-3-5-9/h1-5H,6-8H2,(H,15,16)
- InChI Key： RYHMWKGXNUBZPO-UHFFFAOYSA-N
- SMILES： O=C(CC(C1C=CC=CC=1)=O)CCC(=O)O
Computed Properties
- Exact Mass: 220.07400
- Monoisotopic Mass: 220.07355886g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 6
- Complexity: 277
- 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: 1.2
- Topological Polar Surface Area: 71.4?2
Experimental Properties
- PSA: 71.44000
- LogP: 1.69330
4,6-Dioxo-6-phenylhexanoic acid Customs Data
- HS CODE：2918300090
- Customs Data：
China Customs Code:
2918300090Overview:
2918300090 Other aldehydes or ketones without other oxy carboxylic acids(Including anhydrides\Acyl halide\Peroxides, peroxyacids and derivatives of this tax number). VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Summary:
2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:6.5%.General tariff:30.0%
4,6-Dioxo-6-phenylhexanoic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Apollo Scientific | OR16866-500mg |
4,6-Dioxo-6-phenylhexanoic acid |
114150-57-1 | 500mg |
￡231.00 | 2025-02-19 | ||
| Apollo Scientific | OR16866-1g |
4,6-Dioxo-6-phenylhexanoic acid |
114150-57-1 | 1g |
￡305.00 | 2023-08-31 | ||
| abcr | AB270530-500 mg |
4,6-Dioxo-6-phenylhexanoic acid; 95% |
114150-57-1 | 500MG |
€267.70 | 2022-06-11 | ||
| Alichem | A019117627-5g |
4,6-Dioxo-6-phenylhexanoic acid |
114150-57-1 | 95% | 5g |
$860.52 | 2023-09-04 | |
| Ambeed | A333314-1g |
4,6-Dioxo-6-phenylhexanoic acid |
114150-57-1 | 95+% | 1g |
$251.0 | 2024-04-26 | |
| A2B Chem LLC | AA13636-1mg |
4,6-Dioxo-6-phenylhexanoic acid |
114150-57-1 | >95% | 1mg |
$201.00 | 2024-04-20 | |
| A2B Chem LLC | AA13636-5mg |
4,6-Dioxo-6-phenylhexanoic acid |
114150-57-1 | >95% | 5mg |
$214.00 | 2024-04-20 | |
| A2B Chem LLC | AA13636-10mg |
4,6-Dioxo-6-phenylhexanoic acid |
114150-57-1 | >95% | 10mg |
$240.00 | 2024-04-20 | |
| A2B Chem LLC | AA13636-500mg |
4,6-Dioxo-6-phenylhexanoic acid |
114150-57-1 | >95% | 500mg |
$392.00 | 2024-04-20 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1405963-500mg |
4,6-Dioxo-6-phenylhexanoic acid |
114150-57-1 | 95+% | 500mg |
￥2947.00 | 2024-08-09 |
4,6-Dioxo-6-phenylhexanoic acid Related Literature
-
Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
-
Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
-
Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
114150-57-1 (4,6-Dioxo-6-phenylhexanoic acid) Related Products
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