Cyclohexanepropionic acid structure
|
Common Name | Cyclohexanepropionic acid | ||
|---|---|---|---|---|
| CAS Number | 701-97-3 | Molecular Weight | 156.222 | |
| Density | 1.0±0.1 g/cm3 | Boiling Point | 276.5±0.0 °C at 760 mmHg | |
| Molecular Formula | C9H16O2 | Melting Point | 14-17 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 131.5±9.8 °C | |
| Symbol |
GHS07 |
Signal Word | Warning | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | Cyclohexanepropionic acid |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.0±0.1 g/cm3 |
|---|---|
| Boiling Point | 276.5±0.0 °C at 760 mmHg |
| Melting Point | 14-17 °C(lit.) |
| Molecular Formula | C9H16O2 |
| Molecular Weight | 156.222 |
| Flash Point | 131.5±9.8 °C |
| Exact Mass | 156.115036 |
| PSA | 37.30000 |
| LogP | 2.84 |
| Vapour Pressure | 0.0±1.2 mmHg at 25°C |
| Index of Refraction | 1.469 |
| InChIKey | HJZLEGIHUQOJBA-UHFFFAOYSA-N |
| SMILES | O=C(O)CCC1CCCCC1 |
| Water Solubility | insoluble |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H315-H319-H335 |
| Precautionary Statements | P261-P305 + P351 + P338 |
| Personal Protective Equipment | Eyeshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| Hazard Codes | Xn:Harmful; |
| Risk Phrases | R22;R36/37/38 |
| Safety Phrases | S26-S36-S37/39 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| HS Code | 29162000 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 10 | |
|---|---|
| DownStream 10 | |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2916209090 |
|---|---|
| Summary | 2916209090 other cyclanic, cyclenic or cyclotherpenic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:6.5% General tariff:30.0% |
This table lists relevant public references with title, journal and publication metadata for this compound.
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Oral delivery of sodium cromolyn: preliminary studies in vivo and in vitro.
Pharm. Res. 13(2) , 222-6, (1996) Herein we report the discovery of a group of derivatized alpha-amino acids that increase the oral bioavailability of sodium cromolyn.We prepared three N-acylated alpha-amino acids and used these compo... |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Experimentally measured binding affinity data (Kd) for protein-ligand complexes deriv...
Source: Shanghai Institute of Organic Chemistry
Target: N/A
External Id: PDBbind-Kd for protein-ligand complexes
|
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Name: Compound was evaluated for the inhibition of Trypanosoma cruzi LAP (at 30 µM)
Source: ChEMBL
Target: Aminopeptidase
External Id: CHEMBL5305022
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Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
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Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| Cyclohexanepropanoic acid |
| 3-Cyclohexylpropanoic acid |
| EINECS 211-861-9 |
| MFCD00001527 |
| Cyclohexanepropionic acid |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the CAS number of Cyclohexanepropionic acid? |
| A: CAS number of Cyclohexanepropionic acid is 701-97-3. |
| Q: What is the LogP of Cyclohexanepropionic acid? |
| A: LogP of Cyclohexanepropionic acid is 2.84. |
| Q: What is the molecular weight of Cyclohexanepropionic acid? |
| A: Molecular weight of Cyclohexanepropionic acid is 156.222. |
| Q: How is the water solubility of Cyclohexanepropionic acid? |
| A: Water solubility of Cyclohexanepropionic acid: insoluble. |
| Q: What is the polar surface area (PSA) of Cyclohexanepropionic acid? |
| A: Polar surface area (PSA) of Cyclohexanepropionic acid is 37.30000. |
| Q: What English synonyms does Cyclohexanepropionic acid have? |
| A: English synonyms of Cyclohexanepropionic acid: Cyclohexanepropanoic acid, 3-Cyclohexylpropanoic acid, EINECS 211-861-9, MFCD00001527, Cyclohexanepropionic acid. |
| Q: What is the boiling point of Cyclohexanepropionic acid? |
| A: Boiling point of Cyclohexanepropionic acid is 276.5±0.0 °C at 760 mmHg. |
| Q: What is the English name of Cyclohexanepropionic acid? |
| A: The English name of Cyclohexanepropionic acid is Cyclohexanepropionic acid. |
| Q: What are the upstream materials of Cyclohexanepropionic acid? |
| A: Related upstream materials(CAS) of Cyclohexanepropionic acid: 501-52-0;1124-63-6;7400-08-0;2033-24-1;2043-61-0;140-10-3;97865-17-3;701-98-4;621-82-9;4287-98-3. |
| Q: What is the melting point of Cyclohexanepropionic acid? |
| A: Melting point of Cyclohexanepropionic acid is 14-17 °C(lit.). |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |
| Henan Tianfu Chemical Co., Ltd. |
| Zhongshan Xingrui Chemical Co. , Ltd. |