化工社化工社 化学情報印刷レポート · 研究参考用
2,5-ジメチルベンズアルデヒド
2,5-ジメチルベンズアルデヒド · イソキシルアルデヒド · イソオキシルアルデヒド · 2，5ジメトキシベンズアルデヒド · 2,5-ジメチルベンズアルデヒド, 98% · Benzaldehyde, 2,5-dimethyl- · 25 DMB · Isoxylaldehyde
識別子と物理属性
| CAS No. | 5779-94-2 |
|---|---|
| 分子式 | C9H10O |
| 平均分子量 | 134.17 g/mol |
| 単同位体質量 | 134.07316494 g/mol |
| SMILES | Cc1ccc(C)c(C=O)c1 |
| InChIKey | SMUVABOERCFKRW-UHFFFAOYSA-N |
| PubChem CID | 22015 |
| ChEBI | CHEBI:173203 |
| EC No. | 227-303-2 |
| DTXSID | DTXSID0075449 |
| 現地名 | 2,5-ジメチルベンズアルデヒド |
化学・物理的性質
| XLogP | 2.1 |
|---|---|
| 極性表面積 | 17.1 |
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 1 |
| 回転可能結合数 | 1 |
| 重原子数 | 10 |
| 形式電荷 | 0 |
| 複雑度 | 120 |
| Physical Description | Colorless to yellow liquid[MSDSonline] |
| Kovats Retention Index | 1154115911371208170516801683 |
| 沸点 | 104.5-106.5 °C/14 mmHg (lit.) |
| 密度 | 0.95 g/mL at 25 °C (lit.) |
| 屈折率 | n20/D 1.544(lit.) |
| 引火点 | 190 °F |
| 貯蔵条件 | under inert gas (nitrogen or Argon) at 2-8°C |
| 溶解度 | アセトニトリル（微量）、クロロホルム（微量）水には混和しません。 |
| 外観・状態 | 油 |
| 色 | 無色 |
| 比重 | 0.95 |
| BRN | 1927303 |
| InChI | 1S/C9H10O/c1-7-3-4-8(2)9(5-7)6-10/h3-6H,1-2H3 |
| InChIKey | SMUVABOERCFKRW-UHFFFAOYSA-N |
| SMILES | Cc1ccc(C)c(C=O)c1 |
| LogP（分配係数） | 2.560 (est) |
| CAS データベース | 5779-94-2(CAS DataBase Reference) |
| NISTの化学物質情報 | Benzaldehyde, 2,5-dimethyl-(5779-94-2) |
| EPAの化学物質情報 | 2,5-Dimethylbenzaldehyde (5779-94-2) |
化学的特性
CLEAR COLORLESS TO VERY SLIGHTLY YELLOW LIQUID
安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 75% (3 of 4) of all reports.WarningH302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (25%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (25%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (25%): 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 4 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 3 of 4 reports by companies.There is 1 notification provided by 1 of 4 reports by companies with hazard statement code(s).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. |
|---|---|
| 規制情報 | Chemical: Benzaldehyde, 2,5-dimethyl- |
| 有害性の概要 | May cause irritation[MSDSonline] See ALDEHYDES. |
| Hazard Classes and Categories | Acute Tox. 4 (25%)Skin Irrit. 2 (25%)Eye Irrit. 2A (25%)STOT SE 3 (25%) |
| 水環境危害等級（WGK） | 3 |
| 税関コード | 29122990 |
| 安全措置（S） | 24/25 |
| 貯蔵分類 | 10 - Combustible liquids |
用途
使用
2,5-Dimethylbenzaldehyde is useful for building asymmetric top molecules. 2,5-DMBA has also been used to analyze vehicle carbon emissions.
一般的な説明
The LD vehicle′s emmision factor for 2,5-dimethylbenzaldehyde was studied.