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メチルカルバミド酸2,6-ジ(tert-ブチル)-4-メチルフェニル

Terbucarb

HCID 15967
ノート反応
基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
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基本情報

CAS
1918-11-2
標準SMILES
CNC(=O)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C
InChIKey
PNRAZZZISDRWMV-UHFFFAOYSA-N
分子式
C17H27NO2
平均分子量
277.4 g/mol
単同位体質量
277.2041791

概要

Terbucarb is an alkylbenzene.

名称と識別子

優先名称
Terbucarb
IUPAC
(2,6-ditert-butyl-4-methylphenyl) N-methylcarbamate
現地名
メチルカルバミド酸2,6-ジ(tert-ブチル)-4-メチルフェニル
英語名
TERBUTOL
分子式
C17H27NO2
分子量
277.4

名称と別名

TerbucarbTerbutol1918-11-2MbpmcAZARAZACHercules 9573Caswell No. 294DTXSID1042441Phenol, 2,6-bis(1,1-dimethylethyl)-4-methyl-, methylcarbamate2,6-Di-tert-butyl-p-tolyl methylcarbamate17B625R8YT
名称をさらに表示
ターブカーブアザックメチルカルバミド酸2,6-ジ(tert-ブチル)-4-メチルフェニルターブトンN-メチルカルバミド酸2,6-ジ(tert-ブチル)-4-メチルフェニルアザールメチルカルバミン酸4-メチル-2,6-ジ-tert-ブチルフェニルテルブカルブテルブトールテルブカルブ標準品N-メチルカルバミン酸(4-メチル-2,6-ジ-t-ブチル)フェニルメチルカルバミン酸2,6-ジ-tert-ブチル-4-メチルフェニルCS_N-13513-100MG_テルブトールテルブカルブMBPMC標準品テルブトール STANDARDテルブトール Standard, 100 µg/mL in MeOHリネループ2,6-ジ-tert-ブチル-4-メチルフェニル N-メチルカルバマートAzakH-9573AZAK(R)tebucarb
Carbamic acid, methyl-, 2,6-di-tert-butyl-p-tolyl esterHERCULES-9573DTXCID90224412,6-DI-T-BUTYL-P-TOLYL METHYLCARBAMATE2,6-Di-t-butyl-4-methylphenyl-N-methylcarbamate3,5-Di-t-butyl-4-methylphenyl N-methylcarbamateRefChem:1879382,6-di-tert-butyl-4-methylphenyl n-methylcarbamate

物性

構造計算による物性

XLogP
5.2
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
4
重原子数
20
形式電荷
0
複雑度
314

実験および物理化学的性質

Collision Cross Section176.8 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID1042441]

物理化学的性質

融点
203 · 203-204℃
沸点
420.26 °C · 420.26°C (rough estimate)
比重(密度)
0.9756 · 0.9756 (rough estimate)
屈折率
1.542 · 1.5420 (estimate)
貯蔵温度
0 · 0-6°C
酸解離定数(Pka)
12.4 · 12.40±0.46(Predicted)
水溶解度
6.5 mg/L · 6.5mg/L(25℃)
EPAの化学物質情報
Terbucarb (1918-11-2)

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 · 3 件

This chemical does not meet GHS hazard criteria for 100% (3 of 3) of all reports.

Not Classified

Aggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory.

危険有害性情報

Hazard Classes and CategoriesNot Classified

毒性情報

Treatment · 1 件

If the compound has been ingested, rapid gastric lavage should be performed using 5% sodium bicarbonate. For skin contact, the skin should be washed with soap and water. If the compound has entered the eyes, they should be washed with large quantities of isotonic saline or water. In serious cases, atropine and/or pralidoxime should be administered. Anti-cholinergic drugs work to counteract the effects of excess acetylcholine and reactivate AChE. Atropine can be used as an antidote in conjunction with pralidoxime or other pyridinium oximes (such as trimedoxime or obidoxime), though the use of '-oximes' has been found to be of no benefit, or possibly harmful, in at least two meta-analyses. Atropine is a muscarinic antagonist, and thus blocks the action of acetylcholine peripherally.

Health Effects · 1 件

Acute exposure to cholinesterase inhibitors can cause a cholinergic crisis characterized by severe nausea/vomiting, salivation, sweating, bradycardia, hypotension, collapse, and convulsions. Increasing muscle weakness is a possibility and may result in death if respiratory muscles are involved. Accumulation of ACh at motor nerves causes overstimulation of nicotinic expression at the neuromuscular junction. When this occurs symptoms such as muscle weakness, fatigue, muscle cramps, fasciculation, and paralysis can be seen. When there is an accumulation of ACh at autonomic ganglia this causes overstimulation of nicotinic expression in the sympathetic system. Symptoms associated with this are hypertension, and hypoglycemia. Overstimulation of nicotinic acetylcholine receptors in the central nervous system, due to accumulation of ACh, results in anxiety, headache, convulsions, ataxia, depression of respiration and circulation, tremor, general weakness, and potentially coma. When there is expression of muscarinic overstimulation due to excess acetylcholine at muscarinic acetylcholine receptors symptoms of visual disturbances, tightness in chest, wheezing due to bronchoconstriction, increased bronchial secretions, increased salivation, lacrimation, sweating, peristalsis, and urination can occur. Chronically high (>10 years) exposure leads to neuropsychological consequences including disturbances in perception and visuo-motor processing (A15321).

化学と産業

薬理情報

Metabolism/MetabolitesThe carbamates are hydrolyzed enzymatically by the liver; degradation products are excreted by the kidneys and the liver. (L793)

用途と製造

UsesTerbucarb is widely used as an insecticide or pesticide in homes, gardens and agricultural applications. It is a synthetic compound.

応用分野

用途MBPMC試験用標準品。

使用Agricultural chemical.

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関連反応

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化合物ノート

読み込み中…

このページの内容基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート

データベース識別子

CAS
1918-11-2
PubChem CID
15967
DTXSID
DTXSID1042441
ChEMBL
CHEMBL3187091
ChEBI
CHEBI:82250
UNII
17B625R8YT
EC Number
690-109-5
Nikkaji
J1.787F
Exposure RoutesInhalation (L793) ; oral (L793); dermal (L793)
Toxicity Summary · 1 件

Terbucarb is a cholinesterase or acetylcholinesterase (AChE) inhibitor. Carbamates form unstable complexes with chlolinesterases by carbamoylation of the active sites of the enzymes. This inhibition is reversible. A cholinesterase inhibitor suppresses the action of acetylcholine esterase. Because of its essential function, chemicals that interfere with the action of acetylcholine esterase are potent neurotoxins, causing excessive salivation and eye-watering in low doses. Headache, salivation, nausea, vomiting, abdominal pain and diarrhea are often prominent at higher levels of exposure. Acetylcholine esterase breaks down the neurotransmitter acetylcholine, which is released at nerve and muscle junctions, in order to allow the muscle or organ to relax. The result of acetylcholine esterase inhibition is that acetylcholine builds up and continues to act so that any nerve impulses are continually transmitted and muscle contractions do not stop.

Signs and Symptoms · 1 件

As with organophosphates, the signs and symptoms are based on excessive cholinergic stimulation. Unlike organophosphate poisoning, carbamate poisonings tend to be of shorter duration because the inhibition of nervous tissue acetylcholinesterase is reversible, and carbamates are more rapidly metabolized. Muscle weakness, dizziness, sweating and slight body discomfort are commonly reported early symptoms. Headache, salivation, nausea, vomiting, abdominal pain and diarrhea are often prominent at higher levels of exposure. Contraction of the pupils with blurred vision, incoordination, muscle twitching and slurred speech have been reported. (L795)

Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).

安全データ

wgk
3
rtecs
FB8525000
毒性
rat,LD50,oral,> 34600mg/kg (34600mg/kg),Residue Reviews. Vol. 10, Pg. 97, 1965.
hs_code
29242990
化審法
一般化学物質
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