methyl p-toluate
methyl p-toluate structure
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Common Name | methyl p-toluate | ||
|---|---|---|---|---|
| CAS Number | 99-75-2 | Molecular Weight | 150.174 | |
| Density | 1.0±0.1 g/cm3 | Boiling Point | 222.5±0.0 °C at 760 mmHg | |
| Molecular Formula | C9H10O2 | Melting Point | 32-35 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 90.6±0.0 °C | |
| Symbol |
GHS07 |
Signal Word | Warning | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | Methyl 4-methylbenzoate |
|---|---|
| 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 | 222.5±0.0 °C at 760 mmHg |
| Melting Point | 32-35 °C(lit.) |
| Molecular Formula | C9H10O2 |
| Molecular Weight | 150.174 |
| Flash Point | 90.6±0.0 °C |
| Exact Mass | 150.068085 |
| PSA | 26.30000 |
| LogP | 2.66 |
| Vapour density | 4.7 (vs air) |
| Vapour Pressure | 0.1±0.4 mmHg at 25°C |
| Index of Refraction | 1.509 |
| InChIKey | QSSJZLPUHJDYKF-UHFFFAOYSA-N |
| SMILES | COC(=O)c1ccc(C)cc1 |
| Water Solubility | <0.1 g/100 mL at 22 ºC |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
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This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H315 |
| Personal Protective Equipment | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
| Hazard Codes | Xi:Irritant; |
| Risk Phrases | R36/37/38 |
| Safety Phrases | S37/39-S26 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 2 |
| RTECS | XU2150000 |
| HS Code | 2916399090 |
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 | |
CAS#:681-84-5
CAS#:104-87-0
CAS#:98-59-9
CAS#:67-56-1
CAS#:2789-88-0
CAS#:201230-82-2
CAS#:106-38-7
CAS#:624-31-7
CAS#:3287-02-3
CAS#:99-94-5
CAS#:103094-70-8
CAS#:34040-64-7
CAS#:56525-63-4
CAS#:31130-15-1
CAS#:52787-14-1
CAS#:3247-00-5
CAS#:589-18-4
CAS#:22717-57-3
CAS#:4670-56-8
CAS#:14062-78-3This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2916399090 |
|---|---|
| Summary | 2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none 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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Factors affecting the selectivity of the oxidation of methyl p-toluate by cobalt(III).
Inorg. Chem. 47(6) , 2190-5, (2008) The anaerobic oxidation of methyl p-toluate by cobalt(III) in acetic acid was investigated. Observed products were 4-carbomethoxybenzaldehyde (2), 4-carbomethoxybenzoic acid (3), 4-carbomethoxybenzyl ... |
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Effect of the internal/external donor pair in high-yield catalysts for propylene polymerization, 2. Polymerization results. Barbè PC, et al.
Makromol. Chem. 193(1) , 229-41, (1992)
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This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
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Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
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Name: Cytochrome P450 Family 1 Subfamily A Member 2 (CYP1A2) small molecule antagonists: lu...
Source: 824
External Id: CYP273
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Name: Toxicity in po dosed Rattus norvegicus (rat)
Source: ChEMBL
Target: Rattus norvegicus
External Id: CHEMBL3059484
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Name: Fluorescence-based cell-based primary high throughput screening assay to identify pos...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
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Name: Fluorescence polarization-based biochemical high throughput primary assay to identify...
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens]
External Id: SIAE_INH_FP_1536_1X%INH PRUN
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Name: p53 small molecule agonists, cell-based qHTS assay: qHTS cell viability counter scree...
Source: 824
Target: N/A
External Id: P53600
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Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: qHTS ce...
Source: 824
Target: N/A
External Id: P53MS958
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Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: Summary
Source: 824
External Id: P53MS482
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| methyl p-toluate |
| 4-Methyl-N-isopropylbenzamid |
| N-Isopropyl-p-toluamide |
| methyl p-methylbenzoate |
| 4-Me-C6H4-CO2Me |
| Methyl 4-methylbenzoate |
| p-toluic acid isopropylamide |
| 4-methyl-benzoic acid methyl ester |
| Benzoic acid, 4-methyl-, methyl ester |
| N-Isopropyl-4-methylbenzamide |
| methyl 4-methyl-benzoate |
| p-toluic acid methyl ester |
| EINECS 202-784-1 |
| MFCD00008441 |
| N-Isopropyl-p-toluamid |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the InChIKey of Methyl 4-methylbenzoate? |
| A: InChIKey of Methyl 4-methylbenzoate is QSSJZLPUHJDYKF-UHFFFAOYSA-N. |
| Q: What is the boiling point of Methyl 4-methylbenzoate? |
| A: Boiling point of Methyl 4-methylbenzoate is 222.5±0.0 °C at 760 mmHg. |
| Q: What is the molecular weight of Methyl 4-methylbenzoate? |
| A: Molecular weight of Methyl 4-methylbenzoate is 150.174. |
| Q: What is the CAS number of Methyl 4-methylbenzoate? |
| A: CAS number of Methyl 4-methylbenzoate is 99-75-2. |
| Q: What is the melting point of Methyl 4-methylbenzoate? |
| A: Melting point of Methyl 4-methylbenzoate is 32-35 °C(lit.). |
| Q: What is the English name of Methyl 4-methylbenzoate? |
| A: The English name of Methyl 4-methylbenzoate is Methyl 4-methylbenzoate. |
| Q: What is the molecular formula of Methyl 4-methylbenzoate? |
| A: Molecular formula of Methyl 4-methylbenzoate is C9H10O2. |
| Q: What are the downstream products of Methyl 4-methylbenzoate? |
| A: Related downstream products(CAS) of Methyl 4-methylbenzoate: 103094-70-8;34040-64-7;56525-63-4;31130-15-1;52787-14-1;3247-00-5;589-18-4;22717-57-3;4670-56-8;14062-78-3. |
| Q: What is the polar surface area (PSA) of Methyl 4-methylbenzoate? |
| A: Polar surface area (PSA) of Methyl 4-methylbenzoate is 26.30000. |
| Q: What is the LogP of Methyl 4-methylbenzoate? |
| A: LogP of Methyl 4-methylbenzoate is 2.66. |
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. |