基本情報
- CAS
623-78-9- 標準SMILES
CCNC(=O)OCC- InChIKey
GZXSDYYWLZERLF-UHFFFAOYSA-N- 分子式
- C5H11NO2
- 平均分子量
- 117.15 g/mol
- 単同位体質量
- 117.07897859
名称と識別子
- 優先名称
- Carbamic acid, ethyl-, ethyl ester
- IUPAC
- ethyl N-ethylcarbamate
- 現地名
- エチルカルバミド酸エチル
- 英語名
- Ethyl N-ethylcarbamate
- 分子式
- C5H11NO2
- 分子量
- 117.15
名称と別名
Ethyl N-ethylcarbamateEthyl ethylcarbamateEthyl-N-ethyl carbamateCARBAMIC ACID, ETHYL-, ETHYL ESTERethyl-N-ethylcarbamateHSDB 5506NSC 440UNII-P1WCG74L8IEINECS 210-812-9BRN 1744742NSC-440Carbamic acid, N-ethyl-, ethyl ester
名称をさらに表示
エチルカルバミン酸エチルエチルカルバミド酸エチルN-エチルカルバミド酸エチルN-エチルウレタンエチル N-エチルカルバマートN-ETHYLURETHANEn-ethvlurethaneN-ETHYLURETHANE 99%N-Ethylcarbamic acid ethylEthyl N-ethylcarbamate,98%ethyl-carbamicaciethylesterethylcarbamicacid,ethylesterCARBAMICACID,ETHYL-,ETHYLESTER
DTXSID0060775GZXSDYYWLZERLF-UHFFFAOYSA-4-04-00-00365 (Beilstein Handbook Reference)CARBAMIC ACID, ETHYL-, ETHYL ESTER [HSDB]NEthylurethaneEthyl NethylcarbamateEthylNethyl carbamateRefChem:123385
データベース識別子
- CAS
623-78-9- PubChem CID
- 12195
- DTXSID
DTXSID0060775- UNII
- P1WCG74L8I
- EC Number
- 210-812-9
- Nikkaji
- J3.008B
物性
構造計算による物性
- XLogP
- 0.7
- 極性表面積
- 38.3 Ų
- 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
- 3
- 重原子数
- 8
- 形式電荷
- 0
- 複雑度
- 72.8
実験および物理化学的性質
Chemical ClassesOther Classes -> Carbamic Acid Esters
SpringerMaterials PropertiesOptical coefficient
Density0.9813 AT 20 °C/4 °C
SolubilitySOL IN WATER; VERY SOL IN ALCOHOL, ETHER
Boiling Point176 °C AT 760 MM HG
Vapor Pressure4.94 [mmHg]
Physical DescriptionClear colorless to pale yellow liquid; [Acros Organics MSDS]
物理化学的性質
- 融点
- 60 °C · 60°C (estimate)
- 沸点
- 85 °C20 · 85 °C20 mm Hg(lit.)
- 比重(密度)
- 0.981 g/mL · 0.981 g/mL at 25 °C(lit.)
- 屈折率
- 20 · n20/D 1.421(lit.)
- 闪点
- 168 °F · 168 °F
- 酸解離定数(Pka)
- 13.03 · 13.03±0.46(Predicted)
- 外見
- 液体
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P203, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Hazards SummaryCauses somnolence in subcutaneous lethal-dose studies of mice (LD50 = 860 mg/kg); [RTECS] An irritant; [Acros Organics MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
毒性情報
Interactions
THE TUMOR INITIATING POTENCY OF ETHYL CARBAMATE HOMOLOGS & ETHYL CARBAMATE N-SUBSTITUTED DERIVATIVES WERE STUDIED AFTER SUBCUTANEOUS INJECTION INTO MICE FOLLOWED BY TREATMENT WITH THE PROMOTER CROTON OIL. THE TUMOR INITIATING POTENCIES WERE, IN DESCENDING ORDER ETHYL CARBAMATE, ETHYL N-METHYLCARBAMATE, ETHYL N-ETHYLCARBAMATE, & BUTYL CARBAMATE.
Non-Human Toxicity Excerpts
2 MG/KG OF ETHYL URETHANE GIVEN SUBCUTANEOUSLY TO MICE INCREASED THE ELECTROCARDIOGRAM PERIOD. BRADYCARDIA PHASES WITH INCREASED ARRHYTHMIA ALTERNATED WITH ACCELERATED & MORE REGULAR PERIODS.
AT 0.25% N-ETHYLURETHANE INDUCED ABNORMALITIES IN THE NERVOUS SYSTEM OF CULTIVATED CHICK EMBRYOS, IN WHICH THE FORE, MID, & HIND BRAIN REGIONS WERE NOT DIFFERENTIATED.
安全データ
- wgk
化学と産業
用途と製造
Uses
Used as an experimental neoplastic agent; No known commercial production in the US; [HSDB]
MEDICATION
RESEARCH CHEMICAL (EXPTL NEOPLASTIC AGENT)
U.S. Exports
(1979) No Data
(1981) No Data
U.S. Imports
(1979) No Data
(1981) No Data
U.S. Production
(1979) NOT PRODUCED COMMERCIALLY IN U.S.
(1981) NOT PRODUCED COMMERCIALLY IN U.S.
Methods of ManufacturingREACTION OF ETHYL CHLOROFORMATE WITH ETHYLAMINE
General Manufacturing InformationCarbamic acid, N-ethyl-, ethyl ester: INACTIVE
上流・下流製品情報
下流製品
サプライヤー16 社
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
関連反応
10 件
化合物ノート
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