1-Methylcyclopropanecarboxylic acid
1-Methylcyclopropanecarboxylic acid structure
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Common Name | 1-Methylcyclopropanecarboxylic acid | ||
|---|---|---|---|---|
| CAS Number | 6914-76-7 | Molecular Weight | 100.116 | |
| Density | 1.283 | Boiling Point | 183.5±8.0 °C at 760 mmHg | |
| Molecular Formula | C5H8O2 | Melting Point | 30-32 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 184 °F | |
| Symbol |
GHS05 |
Signal Word | Danger | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 1-Methylcyclopropanecarboxylic 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 | 1.283 |
|---|---|
| Boiling Point | 183.5±8.0 °C at 760 mmHg |
| Melting Point | 30-32 °C(lit.) |
| Molecular Formula | C5H8O2 |
| Molecular Weight | 100.116 |
| Flash Point | 184 °F |
| Exact Mass | 100.052429 |
| PSA | 37.30000 |
| LogP | 0.62 |
| Vapour Pressure | 0.4±0.7 mmHg at 25°C |
| Index of Refraction | 1.497 |
| InChIKey | DIZKLZKLNKQFGB-UHFFFAOYSA-N |
| SMILES | CC1(C(=O)O)CC1 |
| Storage condition | 2~8°C |
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 |
GHS05 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H314 |
| Precautionary Statements | P280-P305 + P351 + P338-P310 |
| Personal Protective Equipment | Eyeshields;Faceshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges |
| Hazard Codes | C,N,T |
| Risk Phrases | R25;R36;R50/53 |
| Safety Phrases | S26-S27-S36/37/39-S45 |
| RIDADR | UN 3261 8/PG 2 |
| WGK Germany | 3 |
| Packaging Group | III |
| Hazard Class | 8 |
| HS Code | 2916209090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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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Selective orthosteric free fatty acid receptor 2 (FFA2) agonists: identification of the structural and chemical requirements for selective activation of FFA2 versus FFA3.
J. Biol. Chem. 286(12) , 10628-40, (2011) Free fatty acid receptor 2 (FFA2; GPR43) is a G protein-coupled seven-transmembrane receptor for short-chain fatty acids (SCFAs) that is implicated in inflammatory and metabolic disorders. The SCFA pr... |
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Chemically engineering ligand selectivity at the free fatty acid receptor 2 based on pharmacological variation between species orthologs.
FASEB J. 26 , 4951-65, (2012) When it is difficult to develop selective ligands within a family of related G-protein-coupled receptors (GPCRs), chemically engineered receptors activated solely by synthetic ligands (RASSLs) are use... |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Agonist activity at human FFA3 receptor stably expressed in Flp-In T-Rex HEK293 cell ...
Source: ChEMBL
Target: Free fatty acid receptor 3
External Id: CHEMBL4404861
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Name: Agonist activity at human FFA3 receptor stably expressed in Flp-In T-Rex HEK293 cells...
Source: ChEMBL
Target: Free fatty acid receptor 3
External Id: CHEMBL4404862
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Name: Agonist activity at human FFA3 receptor stably expressed in Flp-In T-Rex HEK293 cells...
Source: ChEMBL
Target: Free fatty acid receptor 3
External Id: CHEMBL4404863
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Name: Human FFA3 receptor (Free fatty acid receptors)
Source: IUPHAR-DB
Target: FFA3 receptor (Free fatty acid receptors) [Homo sapiens]
External Id: 227_Human
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Name: Human FFA2 receptor (Free fatty acid receptors)
Source: IUPHAR-DB
Target: FFA2 receptor (Free fatty acid receptors) [Homo sapiens]
External Id: 226_Human
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Name: Agonist activity at human FFA3 receptor stably expressed in Flp-In T-Rex HEK293 cell ...
Source: ChEMBL
Target: Free fatty acid receptor 3
External Id: CHEMBL4404860
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 1-Methylcyclopropanecarboxylic acid |
| EINECS 230-020-7 |
| MFCD00001290 |
| 1-methylcyclopropane-1-carboxylic acid |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the molecular formula of 1-Methylcyclopropanecarboxylic acid? |
| A: Molecular formula of 1-Methylcyclopropanecarboxylic acid is C5H8O2. |
| Q: What is the melting point of 1-Methylcyclopropanecarboxylic acid? |
| A: Melting point of 1-Methylcyclopropanecarboxylic acid is 30-32 °C(lit.). |
| Q: What is the InChIKey of 1-Methylcyclopropanecarboxylic acid? |
| A: InChIKey of 1-Methylcyclopropanecarboxylic acid is DIZKLZKLNKQFGB-UHFFFAOYSA-N. |
| Q: What is the molecular weight of 1-Methylcyclopropanecarboxylic acid? |
| A: Molecular weight of 1-Methylcyclopropanecarboxylic acid is 100.116. |
| Q: What is the CAS number of 1-Methylcyclopropanecarboxylic acid? |
| A: CAS number of 1-Methylcyclopropanecarboxylic acid is 6914-76-7. |
| Q: What is the LogP of 1-Methylcyclopropanecarboxylic acid? |
| A: LogP of 1-Methylcyclopropanecarboxylic acid is 0.62. |
| Q: What is the safety information for 1-Methylcyclopropanecarboxylic acid? |
| A: Safety information for 1-Methylcyclopropanecarboxylic acid: S26-S27-S36/37/39-S45. |
| Q: What is the SMILES notation of 1-Methylcyclopropanecarboxylic acid? |
| A: SMILES notation of 1-Methylcyclopropanecarboxylic acid is CC1(C(=O)O)CC1. |
| Q: What English synonyms does 1-Methylcyclopropanecarboxylic acid have? |
| A: English synonyms of 1-Methylcyclopropanecarboxylic acid: 1-Methylcyclopropanecarboxylic acid, EINECS 230-020-7, MFCD00001290, 1-methylcyclopropane-1-carboxylic acid. |
| Q: What is the boiling point of 1-Methylcyclopropanecarboxylic acid? |
| A: Boiling point of 1-Methylcyclopropanecarboxylic acid is 183.5±8.0 °C at 760 mmHg. |
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. |