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N-メチルカルバミン酸エチル
N-メチルカルバミン酸エチル · N-メチルカルバミド酸エチル · エチル=N-メチルカルバマート · メチルウレタン · N-メチルウレタン · メチルカルバミド酸エチル · メチルカルバミン酸エチル · >98%
識別子と物理属性
| CAS No. | 105-40-8 |
|---|---|
| 分子式 | C4H9NO2 |
| 平均分子量 | 103.12 g/mol |
| 単同位体質量 | 103.06332853 g/mol |
| SMILES | CCOC(=O)NC |
| InChIKey | SURZCVYFPAXNGN-UHFFFAOYSA-N |
| PubChem CID | 7752 |
| ChEMBL | CHEMBL1232511 |
| EC No. | 203-295-6 |
| DTXSID | DTXSID2031746 |
| 現地名 | N-メチルカルバミン酸エチル |
化学・物理的性質
| XLogP | 0.3 |
|---|---|
| 極性表面積 | 38.3 |
| 水素結合供与体数 | 1 |
| 水素結合受容体数 | 2 |
| 回転可能結合数 | 2 |
| 重原子数 | 7 |
| 形式電荷 | 0 |
| 複雑度 | 62.7 |
| 物質分類 | Other Classes -> Carbamic Acid Esters |
| 医薬品 | Pharmaceuticals -> Listed in ZINC15 |
| SpringerMaterials Properties | Boiling point |
| LogP（分配係数） | 0.34 |
| 密度 | 1.011 at 66.9 °F (NTP, 1992) - Denser than waterwill sink1.0115 @ 20 °C/4 °C |
| 溶解度 | greater than or equal to 100 mg/mL at 68 °F (NTP, 1992)VERY SOL IN WATERSOLUBLE IN ALCOHOL410g/L(温度表記なし) |
| 引火点 | 163.5 °F (NTP, 1992)61 °C |
| 沸点 | 338 °F at 760 mmHg (NTP, 1992)170 °C @ 760 MM HG |
| 蒸気圧 | 1 mmHg at 79.7 °F20 mmHg at 169.0 °F100 mmHg at 234 °F (NTP, 1992) |
| 屈折率 | INDEX OF REFRACTION 1.4183 @ 20 °C/D1.418-1.42 |
| Physical Description | N-methylcarbamic acid, ethyl ester is a clear colorless liquid. (NTP, 1992)Clear colorless liquid[CAMEO] |
| 貯蔵条件 | Store at room temperature |
| 外観・状態 | clear liquid |
| pKa（酸解離定数） | 13.02±0.46(Predicted) |
| 色 | Colorless to Almost colorless |
| EPAの化学物質情報 | Ethyl methylcarbamate (105-40-8) |
化学的特性
Clear colorless to peach liquid
安全性と法規制
| GHS 分類 | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| 火災危険 | This chemical is combustible. (NTP, 1992) |
| 健康有害性 | ACUTE/CHRONIC HAZARDS: This compound may be narcotic in high concentrations. When heated to decomposition it emits toxic fumes. (NTP, 1992) |
| 有害性の概要 | A mutagen, tumorigen, and reproductive effectorCauses somnolence in subcutaneous, lethal-dose studies of mice[RTECS] Inhalation of high concentrations may cause narcotic effects[CAMEO] May cause irritation[MSDSonline] |
| 反応性グループ | Carbamates |
| Reactivity Profile | N-METHYLCARBAMIC ACID, ETHYL ESTER is a carbamate ester. Carbamates are chemically similar to, but more reactive than amides. Like amides they form polymers such as polyurethane resins. Carbamates are incompatible with strong acids and bases, and especially incompatible with strong reducing agents such as hydrides. Flammable gaseous hydrogen is produced by the combination of active metals or nitrides with carbamates. Strongly oxidizing acids, peroxides, and hydroperoxides are incompatible with carbamates. |
| Air and Water Reactions | Water soluble. |
| Hazard Classes and Categories | Acute Tox. 3 (100%) |
| 消火 | Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992) |
| 応急処置 | EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. |
| 非火災時の漏出対応 | SMALL SPILLS AND LEAKAGE: If you spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION. Then, use absorbent paper to pick up all liquid spill material. Seal the absorbent paper, as well as any of your clothing which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Wash any surfaces you may have contaminated with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned. |
| Personal Protective Equipment (PPE) | RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992) |
| 相互作用 | IN MICE GIVEN FIXED TUMOR-INITIATING 25 G DOSE OF URETHANE, SIMULTANEOUS SUBCUTANEOUS INJECTION OF ETHYL N-METHYLCARBAMATE DID NOT INFLUENCE YIELD OF TUMORS IN SKIN, LUNGS, OR LIVER. |
| 有害作用 | Neurotoxin - Other CNS neurotoxin |
| Non-Human Toxicity Excerpts | A SINGLE INTRAPERITONEAL DOSE WAS GIVEN TO PREGNANT HAMSTERS ON DAY 8 OF GESTATION & PRODUCED TERATOGENESIS BY DAY 13 OF GESTATION. TERATOGENIC EFFECTS IN HAMSTERS CORRELATED STRIKINGLY WITH SKIN TUMOR INITIATION & LUNG ADENOMAS IN MICE.WHEN STUDIED IN THE METHIODINE-DEPENDENT STRAIN MET4-, D19, H- OF SCHIZOSACCHAROMYCES POMBE, N-METHYLURETHAN WAS NOT MUTAGENIC.INTRAPERITONEAL INJECTIONS OF 2000 MUG/G INTO 10-DAY-OLD MICE CAUSED LYMPHOMAS.METHYLURETHAN, A NONCARCINOGENIC ANALOGUE OF NITROSOMETHYLURETHAN, HAD NO EFFECT ON BIOSYNTHESIS OF C2 AND C4 COMPONENTS OF COMPLEMENT IN NORMAL GUINEA PIG PERITONEAL EXUDATE CELLS OR BY SPLEEN AND LIVER FRAGMENTS. |
| TSCA 収載状態 | TSCA listed |
| RTECS 番号 | FC2625000 |
| 税関コード | 29161900 |
| 危険文句（R） | 40 |
| 消防法 | 危-4-2-III |
| 危険表示 | Xn |
| 安全措置（S） | 36/37 |
| 有害物質データ | 105-40-8(Hazardous Substances Data) |
用途
使用
N-Methylurethan is a byproduct in the synthesis of 3,5-Dimethyl-4-(methylthio)phenol (D474810), which is used as an insecticide and used the synthesis of methiocarb.
一般的な説明
Clear colorless liquid.