1-Methylcyclohex-3-Enecarboxylic Acid
1-Methylcyclohex-3-Enecarboxylic Acid structure
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Common Name | 1-Methylcyclohex-3-Enecarboxylic Acid | ||
|---|---|---|---|---|
| CAS Number | 16646-42-7 | Molecular Weight | 140.18000 | |
| Density | 1.074g/cm3 | Boiling Point | 238.9ºC at 760mmHg | |
| Molecular Formula | C8H12O2 | Melting Point | 78-79 °C | |
| MSDS | N/A | Flash Point | 111.2ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 1-methylcyclohex-3-ene-1-carboxylic 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 | 1.074g/cm3 |
|---|---|
| Boiling Point | 238.9ºC at 760mmHg |
| Melting Point | 78-79 °C |
| Molecular Formula | C8H12O2 |
| Molecular Weight | 140.18000 |
| Flash Point | 111.2ºC |
| Exact Mass | 140.08400 |
| PSA | 37.30000 |
| LogP | 1.81740 |
| Vapour Pressure | 0.014mmHg at 25°C |
| Index of Refraction | 1.494 |
| InChIKey | FKOPGCJIAFSDAO-UHFFFAOYSA-N |
| SMILES | CC1(C(=O)O)CC=CCC1 |
| Storage condition | Store at room temperature |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2916209090 |
|---|
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~98%
1-Methylcyclohe... CAS#:16646-42-7 |
| Literature: Hosoya, Masahiro; Otani, Yuko; Kawahata, Masatoshi; Yamaguchi, Kentaro; Ohwada, Tomohiko Journal of the American Chemical Society, 2010 , vol. 132, # 42 p. 14780 - 14789 |
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~82%
1-Methylcyclohe... CAS#:16646-42-7 |
| Literature: House, Herbert O.; Haack, John L.; McDaniel, William C.; VanDerveer, Don Journal of Organic Chemistry, 1983 , vol. 48, # 10 p. 1643 - 1654 |
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~%
1-Methylcyclohe... CAS#:16646-42-7 |
| Literature: VERTEX PHARMACEUTICALS INCORPORATED Patent: US2012/171245 A1, 2012 ; |
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~%
1-Methylcyclohe... CAS#:16646-42-7 |
| Literature: Petrow; Ssopow Zhurnal Obshchei Khimii, 1948 , vol. 18, p. 1783 Chem.Abstr., 1949 , p. 3373 Full Text Show Details Baumgarten; Bower; Okamoto Journal of the American Chemical Society, 1957 , vol. 79, p. 3145,3148 |
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~%
1-Methylcyclohe... CAS#:16646-42-7 |
| Literature: Corey,E.J.; Schmidt,G. Tetrahedron Letters, 1979 , p. 399 - 402 |
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~%
1-Methylcyclohe... CAS#:16646-42-7 |
| Literature: Wenkert,E. et al. Journal of Organic Chemistry, 1970 , vol. 35, p. 2092 - 2095 |
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~%
1-Methylcyclohe... CAS#:16646-42-7 |
| Literature: Wenkert,E. et al. Journal of Organic Chemistry, 1970 , vol. 35, p. 2092 - 2095 |
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 collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 1-Methyl-3-cyclohexene-1-carboxylic acid |
| 1-methyl-cyclohex-3-enecarboxylic acid |
| 1-Methyl-3-cyclohexen-1-carbonsaeure |
| 3-Cyclohexene-1-carboxylic acid,1-methyl |
| 1-Methyl-cyclohex-3-encarbonsaeure |
| 1-Methyl-3-cyclohexenecarboxylic acid |
| 1-Methylcyclohexen-(4)-carbonsaeure-(1) |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the SMILES notation of 1-methylcyclohex-3-ene-1-carboxylic acid? |
| A: SMILES notation of 1-methylcyclohex-3-ene-1-carboxylic acid is CC1(C(=O)O)CC=CCC1. |
| Q: What English synonyms does 1-methylcyclohex-3-ene-1-carboxylic acid have? |
| A: English synonyms of 1-methylcyclohex-3-ene-1-carboxylic acid: 1-Methyl-3-cyclohexene-1-carboxylic acid, 1-methyl-cyclohex-3-enecarboxylic acid, 1-Methyl-3-cyclohexen-1-carbonsaeure, 3-Cyclohexene-1-carboxylic acid,1-methyl, 1-Methyl-cyclohex-3-encarbonsaeure, 1-Methyl-3-cyclohexenecarboxylic acid, 1-Methylcyclohexen-(4)-carbonsaeure-(1). |
| Q: What is the molecular formula of 1-methylcyclohex-3-ene-1-carboxylic acid? |
| A: Molecular formula of 1-methylcyclohex-3-ene-1-carboxylic acid is C8H12O2. |
| Q: What is the English name of 1-methylcyclohex-3-ene-1-carboxylic acid? |
| A: The English name of 1-methylcyclohex-3-ene-1-carboxylic acid is 1-methylcyclohex-3-ene-1-carboxylic acid. |
| Q: What is the LogP of 1-methylcyclohex-3-ene-1-carboxylic acid? |
| A: LogP of 1-methylcyclohex-3-ene-1-carboxylic acid is 1.81740. |
| Q: What is the InChIKey of 1-methylcyclohex-3-ene-1-carboxylic acid? |
| A: InChIKey of 1-methylcyclohex-3-ene-1-carboxylic acid is FKOPGCJIAFSDAO-UHFFFAOYSA-N. |
| Q: What is the boiling point of 1-methylcyclohex-3-ene-1-carboxylic acid? |
| A: Boiling point of 1-methylcyclohex-3-ene-1-carboxylic acid is 238.9ºC at 760mmHg. |
| Q: What is the polar surface area (PSA) of 1-methylcyclohex-3-ene-1-carboxylic acid? |
| A: Polar surface area (PSA) of 1-methylcyclohex-3-ene-1-carboxylic acid is 37.30000. |
| Q: What is the melting point of 1-methylcyclohex-3-ene-1-carboxylic acid? |
| A: Melting point of 1-methylcyclohex-3-ene-1-carboxylic acid is 78-79 °C. |
| Q: What is the CAS number of 1-methylcyclohex-3-ene-1-carboxylic acid? |
| A: CAS number of 1-methylcyclohex-3-ene-1-carboxylic acid is 16646-42-7. |
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. |