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2,3,5-Trimethylphenyl Methylcarbamate

HCID 25550
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
12407-86-2
표준 SMILES
CNC(=O)Oc1cc(C)cc(C)c1C
InChIKey
NYOKZHDTNBDPOB-UHFFFAOYSA-N
분자식
C11H15NO2
평균 분자량
193.24 g/mol
단동위원소 질량
193.11027872

개요

2,3,5-trimethylphenyl methylcarbamate is a brown crystalline solid. Non corrosive. Used as an insecticide.

이름 및 식별자

우선 이름
2,3,5-Trimethylphenyl Methylcarbamate
IUPAC
(2,3,5-trimethylphenyl) N-methylcarbamate
영어명
2,3,5-TRIMETHACARB
분자식
C11H15NO2
분자량
193.24

이름 및 동의어

2,3,5-Trimethacarb2,3,5-Trimethylphenyl methylcarbamate2655-15-4Landrin BShell SD 87862,3,5-Trimethylphenol methylcarbamateTrimethacarb [ISO]HSDB 6978UNII-KQN4BOS2C6KQN4BOS2C612407-86-2ENT 27,096
이름 더 보기
trimethacarbbrootuc27867LANDRIN(R)rimethacarbtrimethylphenylmethylcarbamate2,3,5-TRIMETHYLPHENYL METHYL CARBAMATE2,3,5(or3,4,5)-trimethyl-phenomethylcarbamateMethylcarbamic acid 2(or 4),3,5-trimethylphenyl ester
BRN 2331082AI3-27096methylcarbamic acid 2,3,5-trimethylphenyl esterUNII-R97FQQ0N7WEPA Pesticide Chemical Code 102400EPA Pesticide Chemical Code 102401EPA Pesticide Chemical Code 1024022,3,5(or 3,4,5)-Trimethylphenol methylcarbamate

데이터베이스 식별자

CAS
12407-86-2、2655-15-4、2686-99-9
PubChem CID
25550
DTXSID
DTXSID9041318

물성

구조 계산 물성

XLogP
2.5
극성 표면적
38.3 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
2
회전 가능 결합 수
2
무거운 원자 수
14
형식 전하
0
복잡도
205

실험 및 물리화학적 성질

Pesticides · 2건

Pesticides -> Carbamate Insecticides

Pesticide (2,3,5-Trimethacarb) -> USDA PDB

DecompositionDecomposed by strong acids & alkalis.
Physical Description · 2건

2,3,5-trimethylphenyl methylcarbamate is a brown crystalline solid. Non corrosive. Used as an insecticide.

Brown solid; [CAMEO]

Stability/Shelf LifeStable to light.
Other Experimental PropertiesBrown crystalline solid; MP: 105-114 °C; not readily soluble in organic solvents; sol in water, 58 mg/l @ 23 °C; VP: 5.1X10-5 mm Hg @ 25 °C. Decomposed by strong acids and alkalis; stable to light. /Trimethacarb/

물리화학적 성질

녹는점
118 · 118-123°C
끓는 점
329.46 °C · 329.46°C (rough estimate)
밀도
1.0945 · 1.0945 (rough estimate)
증기압
6.8 x · 6.8 x 10-3 Pa (25 °C)
굴절률
1.508 · 1.5080 (estimate)
저장 조건
Refrigerator

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 4건

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

DOT LabelPoison
Fire HazardsExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Health HazardsExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Hazards SummaryThe only significant effect observed in 90 day and 1 year animal feeding studies was depression of acetylcholinesterase activity; [HSDB] An eye irritant; [MSDSonline] See CARBAMATE INSECTICIDES.
Reactive GroupCarbamates
Reactivity Profile · 1건

2,3,5-TRIMETHYLPHENYL METHYLCARBAMATE 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 ReactionsHydrolyzed in strong acid or alkaline media.

화학 및 산업

약리 정보

Metabolism/Metabolites · 3건

In plants, metabolism occurs via hydroxylation of the N-methyl group & at the 3- & 4-methyl positions. All metabolites may be conjugated as glucosides.

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

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

Absorption, Distribution and Excretion · 1건

In mice given C14 labeled preparations of trimethylphenyl methylcarbamates by gavage, each isomer formed 15-20 metabolites. Hydrolytic & nonhydrolytic metabolic routes were about equally important. With carbonyl-labeled isomers, urinary metabolites included glucuronide or sulfate conjugates; 17-35% of the radioactivity was expired as /carbon dioxide/ & 42-45% was excreted in the urine within 48 hr of admin.

용도 및 제조

Uses · 6건

Used as an insecticide; [HSDB]

Farming (Pesticides) [Category: Industry]

For 2,3,5-Trimethylphenylmethylcarb (USEPA/OPP Pesticide Code: 102402) there are 0 labels match. /SRP: Not registered for current use in the U.S., but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./

Insecticide /Trimethacarb/

2,3,5-Trimethylphenyl methylcarbamate is widely used as an insecticide or pesticide in homes, gardens and agricultural applications. It is a synthetic compound.

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

Formulations/Preparations · 2건

USEPA/OPP Pesticide Code 102402; Trade Names: Landrin (Part), SD 8530, Component of (with 102401), SD 8786.

Trimethacarb is a reaction product consisting of 3,4,5-trimethacarb and 2,3,5-trimethacarb in a ration between 3.5:1 and 5:1. /Trimethacarb/

관련 반응

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화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
ChEBI
CHEBI:38893
UNII
KQN4BOS2C6
EC Number
602-974-8、684-207-7
Nikkaji
J67.103G
용해도
클로로포름(약간 용해됨), 메탄올(약간 용해됨)
수용성
58 mg · >58 mg l-1 (23 °C)
물리적 상태
고체
색상
흰색에서 황백색까지
EPA
Trimethacarb (12407-86-2)
Hazard Classes and Categories
Acute Tox. 3 (100%)

안전 및 보호

Fire FightingExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
First AidExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Exposure Control and Personal Protection · 1건

Biological Exposure Indices (BEI) [ACGIH] - Acetylcholinesterase activity in red blood cells = 70% of individual's baseline; Butylcholinesterase activity in serum or plasma = 60% of individual's baseline; Sample at end of shift; [TLVs and BEIs]

Nonfire Spill ResponseExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Isolation and EvacuationExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Personal Protective Equipment (PPE)Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:

독성 정보

Treatment · 2건

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.

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 · 2건

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).

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).

Environmental Fate · 3건

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 470(SRC), determined from a measured water solubility of 58 mg/l(2) and a regression-derived equation(3), indicates that 2,3,5-trimethacarb is expected to have moderate mobility in soil(SRC). Volatilization of 2,3,5-trimethacarb from moist soil surfaces is not expected to be an important fate process(SRC) given an estimated Henry's Law constant of 2.2X10-7 atm-cu m/mole(SRC), calculated from trimethacarb's vapor pressure, 5.1X10-5 mm Hg(2), and water solubility, 58 mg/l(2). 2,3,5-Trimethacarb is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(2). The half-life of trimethacarb in a sterile soil was 60 days(2), which suggests hydrolysis is expected to be an important fate process for 2,3,5-trimethacarb. The half-life of 2,3,5-trimethacarb in an aerated, dry, Drummer-Catlin soil mixture was 42 days(4), which suggests biodegradation will be important in soils.

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 470(SRC), determined from a measured water solubility of 58 mg/l(2)and a regression-derived equation(3), indicates that 2,3,5-trimethacarb is expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is not expected(3) based upon an estimated Henry's Law constant of 2.2X10-7 atm-cu m/mole(SRC), based upon trimethacarb's vapor pressure, 5.1X10-5 mm Hg(2), and water solubility, 58 mg/l(2). According to a classification scheme(4), an estimated BCF of 60(SRC), from its water solubility and a regression derived equation(3), suggests the potential for bioconcentration in aquatic organisms is moderate(SRC). Hydrolysis is expected to be an important environmental fate process for 2,3,5-trimethacarb based upon estimated hydrolysis half-lives of 4 and 37 days at pH values of 7 and 8, respectively(5). No biodegradation data is available for 2,3,5-trimethacarb in water, however a half-life of about 42 days in a pristine-soil indicates that 2,3,5-trimethacarb will be moderately biodegradeable in water(6).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), trimethacarb, which has a vapor pressure of 5.1X10-5 mm Hg at 25 °C(2), is expected to exist in both the vapor and particulate phases in the ambient atmosphere. Vapor-phase 2,3,5-trimethacarb is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 18 hours(SRC), calculated from its rate constant of 2.1X10-11 cu cm/molecule-sec at 25 °C (SRC) determined using a structure estimation method(3). Particulate-phase 2,3,5-trimethacarb may be removed from the air by wet and dry deposition(SRC).

Adverse EffectsOther Poison - Carbamate
Exposure Routes · 2건

Inhalation (L793) ; oral (L793); dermal (L793)

Inhalation (L793) ; oral (L793); dermal (L793)

Toxicity Summary · 2건

2,3,5-Trimethylphenyl methylcarbamate 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.

Trimethacarb 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 · 2건

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)

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)

Acute Toxicity LinkChemical: LANDRIN
Soil Adsorption/Mobility · 1건

The Koc of 2,3,5-trimethacarb is estimated as 470(SRC), using a measured water solubility of 58 mg/l(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 2,3,5-trimethacarb is expected to have moderate mobility in soil(SRC).

Human Toxicity Excerpts · 1건

Two trials for malaria control carried out in Nigeria with Landrin lasted for 2 & 4 days, respectively. there were no complaints among the operators & residents, although in one of the trials a water shortage prevented operators form washing & bathing after work as frequently as planned. Whereas moderate to pronounced inhibition of whole-blood cholinesterase was observed in some sprayers at the end of the day's work, this was considerably less than that observed in the same sprayers when spraying propoxur at other times.

Artificial Pollution Sources · 1건

2,3,5-Trimethacarb's production may result in its release to the environment through various waste streams; it's use as an ingredient in the insecticide trimethacarb(1) will result in its direct release to the environment(SRC). The insecticide trimethacarb is a reaction product consisting of 3,4,5-trimethylphenyl methylcarbamate and 2,3,5-trimethylphenyl methylcarbamate in a ratio between 3.5:1 and 5:1(1).

Environmental Biodegradation · 1건

2,3,5-Trimethacarb was degraded 15% in a pristine Drummer-Catlin soil mixture over a 2 week incubation period(1). However when the soil was pre-treated with carbofuran (1 application of 5 ug/g of carbofuran and incubated for 42 days) the amount biodegraded was 34% and when pre-treated with trimethacarb (2,3,5- and 3,4,5-isomers) the amount biodegraded was 75% over a 2 week period(1). After 42 days roughly 50% of the added 2,3,5-trimethacarb had been degraded from the pristine soil, while over 90% had been degraded in the treated soils(1). It was also observed that the rate of biodegradation was slightly greater for 3,4,5-trimethacarb when compared to 2,3,5-trimethacarb(1). Methyl carbamate and phenyl carbamate insecticides such as carbaryl, carbofuran, propoxur, propham, and phenmedipham are reported as being moderately to highly biodegradable under aerobic conditions and moderately biodegradeable under anaerobic conditions(2,3), which suggests 2,3,5-trimethacarb will also be biodegradeable under similar conditions(SRC).

안전 데이터

ridadr
2757
독성
rabbit,LD50,skin,> 2500mg/kg (2500mg/kg),Shell Chemical Company. Vol. CODE,
포장분류
III
위험 등급
6.1(b)
Use Classification
INSECTICIDES

응용 분야

용도Trimethacarb is an insecticide with primarily stomach action. It is mainly used to control corn root worm larvae in maize but it also controls a wide range of insect and mollusc pests. Trimethacarb acts as a bird and mammal repellent.

공급사27 곳

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