化工社化工社 化学情報印刷レポート · 研究参考用
HCID 18673003作成日：2026年10月26日
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/ja/chemical/18673003
識別子と物理属性
| CAS No. | 116934-87-3 |
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| 分子式 | C10H10O4 |
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| 平均分子量 | 194.18 g/mol |
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| 単同位体質量 | 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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化学・物理的性質
| XLogP | 1.7 |
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| 極性表面積 | 63.6 |
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| 水素結合供与体数 | 1 |
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| 水素結合受容体数 | 4 |
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| 回転可能結合数 | 3 |
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| 重原子数 | 14 |
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| 形式電荷 | 0 |
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| 複雑度 | 236 |
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| 沸点 | 333.2±30.0 °C(Predicted) |
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| 密度 | 1.243±0.06 g/cm3(Predicted) |
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| 貯蔵条件 | Sealed in dry,Room Temperature |
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| pKa（酸解離定数） | 3.84±0.10(Predicted) |
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安全性と法規制
| GHS 分類 | 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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| 注意喚起語 | 警告 |
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| 危険有害性情報 | コード 危険有害性情報 危険有害性クラス 区分 注意喚起語 シンボル P コード H302 |
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