4-methoxybenzylmercaptan
4-methoxybenzylmercaptan structure
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Common Name | 4-methoxybenzylmercaptan | ||
|---|---|---|---|---|
| CAS Number | 6258-60-2 | Molecular Weight | 154.229 | |
| Density | 1.1±0.1 g/cm3 | Boiling Point | 294.5±0.0 °C at 760 mmHg | |
| Molecular Formula | C8H10OS | Melting Point | N/A | |
| MSDS | Chinese USA | Flash Point | 103.4±20.4 °C | |
Summary: 4-Methoxy-α-toluenethiol, Chinese name: 4-甲氧基苄硫醇, CAS number: 6258-60-2, molecular formula: C8H10OS, molecular weight: 154.229. This compound is a light yellow oily liquid with a boiling point of 294.5±0.0 °C and a density of 1.1±0.1 g/cm3. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 4-Methoxy-α-toluenethiol |
|---|---|
| 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 | 1.1±0.1 g/cm3 |
|---|---|
| Boiling Point | 294.5±0.0 °C at 760 mmHg |
| Molecular Formula | C8H10OS |
| Molecular Weight | 154.229 |
| Flash Point | 103.4±20.4 °C |
| Exact Mass | 154.045242 |
| PSA | 48.03000 |
| LogP | 2.65 |
| Vapour Pressure | 0.0±0.6 mmHg at 25°C |
| Index of Refraction | 1.549 |
| InChIKey | PTDVPWWJRCOIIO-UHFFFAOYSA-N |
| SMILES | COc1ccc(CS)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.
| Personal Protective Equipment | Eyeshields;Gloves;half-mask respirator (US);multi-purpose combination respirator cartridge (US) |
|---|---|
| Hazard Codes | Xi |
| Safety Phrases | S23-S24/25 |
| RIDADR | UN 3334 |
| WGK Germany | 3 |
| HS Code | 2930909090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~94%
4-methoxybenzyl... CAS#:6258-60-2 |
| Literature: Bandgar; Sadavarte Synlett, 2000 , # 6 p. 908 - 910 |
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4-methoxybenzyl... CAS#:6258-60-2 |
| Literature: Chemical Communications, , # 16 p. 1617 - 1619 |
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4-methoxybenzyl... CAS#:6258-60-2 |
| Literature: Journal of the American Chemical Society, , vol. 73, p. 2109,2112 |
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4-methoxybenzyl... CAS#:6258-60-2 |
| Literature: Corrosion Anticorrosion, , vol. 4, p. 4,14 |
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4-methoxybenzyl... CAS#:6258-60-2 |
| Literature: Synthesis, , # 6 p. 472 - 475 |
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4-methoxybenzyl... CAS#:6258-60-2 |
| Literature: Chemistry - A European Journal, , vol. 13, # 28 p. 7983 - 7995 |
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4-methoxybenzyl... CAS#:6258-60-2 |
| Literature: Chemische Berichte, , vol. 24, p. 1446 |
![S-[(4-methoxyphenyl)methyl] ethanethioate structure](https://image.chemsrc.com/caspic/139/102607-00-1.png)
![1-methoxy-4-[[(4-methoxyphenyl)methyldisulfanyl]methyl]benzene structure](https://image.chemsrc.com/caspic/297/17004-42-1.png)
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 6 | |
|---|---|
| DownStream 9 | |
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CAS#:35378-93-9
CAS#:104-93-8This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2930909090 |
|---|---|
| Summary | 2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . 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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Quantitative determination of wine polyfunctional mercaptans at nanogram per liter level by gas chromatography-negative ion mass spectrometric analysis of their pentafluorobenzyl derivatives.
J. Chromatogr. A. 1146(2) , 242-50, (2007) A fast method for the determination of aroma-powerful polyfunctional thiols at nanogram per liter level has been developed and applied to wine. A small volume of wine (6 mL) was extracted with 1.5 mL ... |
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Synthesis of protected ω-mercapto amino acids: precursors for incorporation of elongated cysteines into peptides.
Tetrahedron Asymmetry 9(15) , 2739-2743, (1998)
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This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Inhibition of indoleamine-2,3-dioxygenase in human A431 cells assessed as inhibition ...
Source: ChEMBL
Target: Indoleamine 2,3-dioxygenase 1
External Id: CHEMBL1225450
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Name: Inhibition of indoleamine-2,3-dioxygenase
Source: ChEMBL
Target: Indoleamine 2,3-dioxygenase 1
External Id: CHEMBL1225449
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 4-methoxybenzylmercaptan |
| 4-Methoxy-α-toluenethiol |
| EINECS 228-393-6 |
| MFCD00004871 |
| (4-Methoxyphenyl)methanethiol |
| p-Methoxy-α-toluenethiol |
| 4-methoxybenzenmethanethiol |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What are the upstream materials of 4-Methoxy-α-toluenethiol? |
| A: Related upstream materials(CAS) of 4-Methoxy-α-toluenethiol: 105-13-5;2746-25-0;824-94-2;76950-80-6;102607-00-1;17004-42-1. |
| Q: What is the LogP of 4-Methoxy-α-toluenethiol? |
| A: LogP of 4-Methoxy-α-toluenethiol is 2.65. |
| Q: What is the molecular formula of 4-Methoxy-α-toluenethiol? |
| A: Molecular formula of 4-Methoxy-α-toluenethiol is C8H10OS. |
| Q: What is the SMILES notation of 4-Methoxy-α-toluenethiol? |
| A: SMILES notation of 4-Methoxy-α-toluenethiol is COc1ccc(CS)cc1. |
| Q: What is the CAS number of 4-Methoxy-α-toluenethiol? |
| A: CAS number of 4-Methoxy-α-toluenethiol is 6258-60-2. |
| Q: What is the English name of 4-Methoxy-α-toluenethiol? |
| A: The English name of 4-Methoxy-α-toluenethiol is 4-Methoxy-α-toluenethiol. |
| Q: What English synonyms does 4-Methoxy-α-toluenethiol have? |
| A: English synonyms of 4-Methoxy-α-toluenethiol: 4-methoxybenzylmercaptan, 4-Methoxy-α-toluenethiol, EINECS 228-393-6, MFCD00004871, (4-Methoxyphenyl)methanethiol, p-Methoxy-α-toluenethiol, 4-methoxybenzenmethanethiol. |
| Q: What is the boiling point of 4-Methoxy-α-toluenethiol? |
| A: Boiling point of 4-Methoxy-α-toluenethiol is 294.5±0.0 °C at 760 mmHg. |
| Q: What is the InChIKey of 4-Methoxy-α-toluenethiol? |
| A: InChIKey of 4-Methoxy-α-toluenethiol is PTDVPWWJRCOIIO-UHFFFAOYSA-N. |
| Q: What are the storage conditions for 4-Methoxy-α-toluenethiol? |
| A: Storage conditions for 4-Methoxy-α-toluenethiol: 2-8°C. |
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. |
| Zhongshan Xingrui Chemical Co. , Ltd. |
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- Shanghai Nianxing Industrial Co., Ltd
- China
- Product Name: 4-methoxybenzylmercaptan
- Price: Check
- Purity: 90.0%
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- Dayang Chem (Hangzhou) Co., Ltd.
- China
- Product Name: 4-Methoxybenzyl mercaptan
- Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
- Purity: 98.0%
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- Email: enquiry@dycnchem.com
- Zhongshan Xingrui Chemical Co. , Ltd.
- China
- Product Name: 4-methoxybenzylmercaptan
- Price: ￥Inquiry/25kg
- Purity: 99.0%
- Delivery: Inquiry
- Contact: Wang Jie
- Email: 3096638339@qq.com
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