기본 정보
- CAS
2459-10-1- 표준 SMILES
COC(=O)c1ccc(C(=O)OC)c(C(=O)OC)c1- InChIKey
MJHNUUNSCNRGJE-UHFFFAOYSA-N- 분자식
- C12H12O6
- 평균 분자량
- 252.22 g/mol
- 단동위원소 질량
- 252.0633881
이름 및 식별자
- 우선 이름
- Trimethyl 1,2,4-benzenetricarboxylate
- IUPAC
- trimethyl benzene-1,2,4-tricarboxylate
- 현지명
- 트리메틸벤젠트리카복실레이트-1,2,4
- 영어명
- TRIMETHYL 1,2,4-BENZENETRICARBOXYLATE
- 분자식
- C12H12O6
- 분자량
- 252.22
이름 및 동의어
Trimethyl trimellitate2459-10-1Trimethyl benzene-1,2,4-tricarboxylateTRIMETHYL 1,2,4-BENZENETRICARBOXYLATEMethyl trimellitateTrimellitic acid trimethyl ester1,2,4-Benzenetricarboxylic acid, 1,2,4-trimethyl esterDTXSID80446201,2,4-Benzenetricarboxylic acid, trimethyl ester16O7DT5N66DTXCID6024620HSDB 5880
이름 더 보기
트라이메틸1,2,4-벤젠트라이카복실레이트트라이메틸 1,2,4-벤젠트라이카복실레이트methyltrimellitateTIMTEC-BB SBB0079651,2,4-Tris(methoxycarbonyl)benzenerimethylbenzene-1,2,4-tricarboxylate1,2,4-Benzenetricarboxylic acid trimethyl
EINECS 219-547-3AI3-082191,2,4-BENZENETRICARBOXYLIC ACID, TRIMETHYLTRIMETHYL 1,2,4-BENZENETRICARBOXYLATE [HSDB]RefChem:899737Trimethyl benzene1,2,4tricarboxylate1,2,4Benzenetricarboxylic acid, trimethyl ester1,2,4Benzenetricarboxylic acid, 1,2,4trimethyl ester
데이터베이스 식별자
- CAS
2459-10-1- PubChem CID
- 17159
- DTXSID
DTXSID8044620- ChEMBL
CHEMBL3183850- UNII
- 16O7DT5N66
- EC Number
- 219-547-3
- Nikkaji
- J1.813I
물성
구조 계산 물성
- XLogP
- 1.4
- 극성 표면적
- 78.9 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 18
- 형식 전하
- 0
- 복잡도
- 337
실험 및 물리화학적 성질
PolymersPlastics & Rubber -> Phthalate Esters
SpringerMaterials PropertiesBoiling point
Density1.261
Endocrine DisruptorsPotential endocrine disrupting compound
Boiling Point194 °C at 12 mm Hg
Melting Point-13 °C
Food Contact Substances
FCS -> FDA Cumulative Estimated Daily Intake (CEDI)
FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Refractive IndexIndex of Refraction= 1.5230 at 20 °C
Physical DescriptionWhite solid; [MSDSonline]
물리화학적 성질
- 녹는점
- 38 · 38-40 °C (lit.)
- 끓는 점
- 194 °C/12 · 194 °C/12 mmHg (lit.)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 109 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: 1,2,4-Benzenetricarboxylic acid, trimethyl ester
Regulation (EC) No 1935/2004 (amended)
Status: Active Update: 15-02-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/27667
Hazards SummarySalivation, weakness, and weight loss were observed in oral lethal dose studies of rats; Rats died 4 days after dosing; Oral LD50 (rat) = 12,232 mg/kg; [HSDB] May cause irritation; [MSDSonline] See PHTHALATE ESTERS.
Hazard Classes and CategoriesAquatic Chronic 2 (100%)
안전 및 보호
Disposal Methods
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
독성 정보
Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.
화학 및 산업
용도 및 제조
UsesPossible use as plasticizer; [HSDB]
U.S. Exports
(1979) No Data
(1981) No Data
U.S. Imports
(1979) No Data
(1981) No Data
U.S. Production
(1979) No Data
(1981) PROBABLY GREATER THAN 2.27X10+6 GRAMS
Methods of ManufacturingESTERIFICATION OF TRIMELLITIC ANHYDRIDE WITH METHYL ALCOHOL
General Manufacturing Information
1,2,4-Benzenetricarboxylic acid, 1,2,4-trimethyl ester: ACTIVE
ADDITION OF TRIMELLITIC ACID ESTERS, INCLUDING TRIMETHYL 1,2,4-BENZENETRICARBOXYLATE, MARKEDLY DECREASED DRIFT OF AGROCHEMICAL POWDER & IMPROVED FLUIDITY & ADHESIVENESS ON PLANTS.
PLASTICIZER (POSSIBLE USE)
응용 분야
용도Trimethyl 1,2,4-benzenetricarboxylate has been used in the synthesis of polymers which can be cleaved at predetermined sites by ionizing radiations.
일반 설명Standard enthalpy of combustion of trimethyl 1,2,4-benzenetricarboxylate has been measured using bomb calorimetry.
상·하류 제품 정보
하류 제품
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河北凡博医药科技有限公司
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