HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 18673003Generated: October 27, 2026
4-(Methoxycarbonyl)-3-methylbenzoic acid
4-(Methoxycarbonyl)-3-Methylbenzoic acid · 2-Methyl-terephthalic acid 1-methyl ester · 4-Methoxycarbonyl-3-methyl-benzoicacid - [B69978] · 2-methylbenzene-1,4-dicarboxylic acid 1-methyl ester · 1,4-Benzenedicarboxylic acid, 2-methyl-, 1-methyl ester
https://huagongshe.com/en/chemical/18673003
Identifiers & Physical Properties
| CAS No. | 116934-87-3 |
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| Molecular formula | C10H10O4 |
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| Average molar mass | 194.18 g/mol |
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| Monoisotopic mass | 194.0579088 g/mol |
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| SMILES | COC(=O)c1ccc(C(=O)O)cc1C |
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| InChIKey | HFCRSABBNBNZNG-UHFFFAOYSA-N |
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| PubChem CID | 18673003 |
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| EC No. | 890-106-0 |
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Chemical & Physical Properties
| XLogP | 1.7 |
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| Topological polar surface area | 63.6 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 4 |
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| Rotatable bonds | 3 |
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| Heavy atoms | 14 |
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| Formal charge | 0 |
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| Complexity | 236 |
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| Boiling point | 333.2±30.0 °C(Predicted) |
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| Density | 1.243±0.06 g/cm3(Predicted) |
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| Storage conditions | Sealed in dry,Room Temperature |
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| pKa (acidity coefficient) | 3.84±0.10(Predicted) |
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| Appearance | Off-white to light brown Solid |
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| GHS pictogram | GHS07 |
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| Signal word | Warning |
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| GHS hazard statements | H302-H315-H319-H335 |
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| GHS precautionary statements | P261-P305+P351+P338 |
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Safety & Regulations
| GHS classification | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%)Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%) |
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| Signal word | Warning |
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| GHS pictogram | GHS07 |
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| GHS hazard statements | H302-H315-H319-H335 |
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| GHS precautionary statements | P261-P305+P351+P338 |
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