N-メチルカルバミン酸エチル

Carbamic acid, N-methyl-, ethyl ester

HCID 7752CAS 105-40-8

基本情報

標準SMILES
CCOC(=O)NC
InChIKey
SURZCVYFPAXNGN-UHFFFAOYSA-N
分子式
C4H9NO2
平均分子量
103.12 g/mol
単同位体質量
103.06332853

概要

N-methylcarbamic acid, ethyl ester is a clear colorless liquid. (NTP, 1992)

名称と識別子

優先名称
Carbamic acid, N-methyl-, ethyl ester
IUPAC
ethyl N-methylcarbamate
現地名
N-メチルカルバミン酸エチル
英語名
N-Methylurethane
分子式
C4H9NO2
分子量
103.12

名称と別名

105-40-8ETHYL N-METHYLCARBAMATEN-MethylurethanEthyl-N-methylcarbamateCarbamic acid, methyl-, ethyl esterN-Methyl urethanMethylcarbamic acid, ethyl esterEthylester kyseliny methylkarbaminove1W34GCF5CSNSC-8836Carbamic acid, N-methyl-, ethyl esterDTXSID2031746
名称をさらに表示
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N-メチルウレタン>98%MethylurethaeMETHYLURETHANN-Methyl uretanethyl methylcarateEthylN-methylcarbama+eethylmethylaminoformate
RefChem:1080970DTXCID0011746203-295-6Ethyl methylcarbamateN-MethylurethaneN-Methylcarbamic acid, ethyl esterMFCD00041924METHYL-CARBAMIC ACID ETHYL ESTER

データベース識別子

CAS
105-40-8
PubChem CID
7752
DTXSID
DTXSID2031746
ChEMBL
CHEMBL1232511
UNII
1W34GCF5CS
EC Number
203-295-6
Nikkaji
J55.518E

物性

構造計算による物性

XLogP
0.3
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
2
重原子数
7

実験および物理化学的性質

Chemical ClassesOther Classes -> Carbamic Acid Esters
DrugsPharmaceuticals -> Listed in ZINC15
SpringerMaterials PropertiesBoiling point
LogP0.34
Density · 2 件

1.011 at 66.9 °F (NTP, 1992) - Denser than water; will sink

1.0115 @ 20 °C/4 °C

Solubility · 2 件

greater than or equal to 100 mg/mL at 68 °F (NTP, 1992)

VERY SOL IN WATER; SOLUBLE IN ALCOHOL

物理化学的性質

沸点
170 °C · 170 °C
比重(密度)
1.01 · 1.01
屈折率
1.418 · 1.418-1.42
闪点
61 °C · 61 °C
貯蔵温度
Store at room temperature
外見
clear liquid

化学的性質

化学的特性Clear colorless to peach liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H301 (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.

危険有害性情報

Fire HazardsThis chemical is combustible. (NTP, 1992)
Health HazardsACUTE/CHRONIC HAZARDS: This compound may be narcotic in high concentrations. When heated to decomposition it emits toxic fumes. (NTP, 1992)
Hazards SummaryA mutagen, tumorigen, and reproductive effector; Causes somnolence in subcutaneous, lethal-dose studies of mice; [RTECS] Inhalation of high concentrations may cause narcotic effects; [CAMEO] May cause irritation; [MSDSonline]
Reactive GroupCarbamates
Reactivity Profile · 1 件

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 ReactionsWater soluble.

安全と保護具

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 件

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.

Nonfire Spill Response · 1 件

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) · 1 件

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)

毒性情報

InteractionsIN 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.
Adverse EffectsNeurotoxin - Other CNS neurotoxin
Non-Human Toxicity Excerpts · 4 件

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.

安全データ

tsca
TSCA listed
rtecs
FC2625000
hs_code
29161900
risk_code
40
消防法
危-4-2-III
hazard_code
Xn

化学と産業

薬理情報

Metabolism/Metabolites · 2 件

METHYLUREA WAS RAPIDLY NITROSATED WHEN O.005 MOLAR METHYLUREA & 0.01 MOLAR NITRITE WERE REACTED AT PH 2. NITROSATION OF N-METHYLURETHAN PROCEEDED MORE SLOWLY THAN METHYLUREA. RATE OF REACTION INCR NEARLY 10-FOLD FOR EACH 1 UNIT DROP IN PH.

UNDER CONDITIONS SIMILAR TO THOSE PREVALENT IN THE STOMACH, NITROSIFICATION OF METHYLURETHANE TO N,N-NITROMETHYLURETHANE DID OCCUR, BUT WAS MORE DIFFICULT THAN THAT OF OTHER NITROSAMINES.

用途と製造

Uses · 2 件

Used as research chemical; No known commercial production in the US; [HSDB]

RESEARCH CHEMICAL

U.S. Exports · 2 件

(1979) No Data

(1981) No Data

U.S. Imports · 2 件

(1979) No Data

(1981) No Data

U.S. Production · 2 件

(1979) NOT PRODUCED COMMERCIALLY IN U.S.

(1981) NOT PRODUCED COMMERCIALLY IN U.S.

Methods of ManufacturingREACTION OF ETHYL CHLOROFORMATE WITH METHYLAMINE
General Manufacturing InformationCarbamic acid, N-methyl-, ethyl ester: ACTIVE

応用分野

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.

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関連反応

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