비스(2-히드록시에틸)벤젠-1,4-디카르복실레이트

Bis(2-hydroxyethyl) terephthalate

HCID 13739CAS 41479-14-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C(OCCO)c1ccc(C(=O)OCCO)cc1
InChIKey: QPKOBORKPHRBPS-UHFFFAOYSA-N
분자식: C12H14O6
평균 분자량: 254.24 g/mol
단동위원소 질량: 254.07903817

개요

Bis(2-hydroxyethyl) terephthalate is a carboxylic ester and a diester.

이름 및 식별자

우선 이름: Bis(2-hydroxyethyl) terephthalate
IUPAC: bis(2-hydroxyethyl) benzene-1,4-dicarboxylate
현지명: 비스(2-히드록시에틸)벤젠-1,4-디카르복실레이트
영어명: bis(2-hydroxyethyl) benzene-1,4-dicarboxylate
분자식: C12H14O6
분자량: 0

이름 및 동의어

BIS(2-HYDROXYETHYL) TEREPHTHALATE959-26-2Bis(hydroxyethyl) terephthalateBis(beta-hydroxyethyl) terephthalateTerephthalic acid, bis(2-hydroxyethyl) ester1,4-Benzenedicarboxylic acid, bis(2-hydroxyethyl) esterBis(ethylene glycol) terephthalateJ61IL5R964DTXSID3052644RefChem:1079937DTXCID0031217213-497-6

이름 더 보기

비스(2-히드록시에틸)벤젠-1,4-디카르복실레이트Glycol terephthalateTerephthalic acid, polyethylene glycol, diesterPoly(oxy-1,2-ethanediyl), alpha,alpha'-(1,4-phenylenedicarbonyl)bis(omega-hydroxy-

BHETbis(2-hydroxyethyl) benzene-1,4-dicarboxylateTerephthalic Acid Bis(2-hydroxyethyl) EsterMFCD00081066TEREPHTHALICACIDBIS(2-HYDROXYETHYL)ESTERBis(2-hydroxyethyl)terephthalate41479-14-5SCHEMBL26378

데이터베이스 식별자

CAS: 41479-14-5、959-26-2
PubChem CID: 13739
DTXSID: DTXSID3052644
ChEBI: CHEBI:231672
UNII: J61IL5R964
EC Number: 213-497-6
Nikkaji: J141.640E

물성

구조 계산 물성

XLogP: 1.7
극성 표면적: 93.1 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 6
회전 가능 결합 수: 8
무거운 원자 수: 18
형식 전하: 0
복잡도: 242

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Other Aromatic Compounds

Vapor Pressure0.00000011 [mmHg]

물리화학적 성질

EPA: Poly(oxy-1,2-ethanediyl), .alpha.,.alpha.'-(1,4-phenylenedicarbonyl)bis[.omega.-hydroxy- (41479-14-5)

안전 및 규제

GHS 분류

GHS Classification · 3건

This chemical does not meet GHS hazard criteria for 99.1% (105 of 106) of all reports.

Not Classified

Aggregated GHS information provided per 106 reports by companies from 2 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 4건

Chemical: Poly(oxy-1,2-ethanediyl), .alpha.,.alpha.'-(1,4-phenylenedicarbonyl)bis[.omega.-hydroxy-

1,4-Benzenedicarboxylic acid, 1,4-bis(2-hydroxyethyl) ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,4-Benzenedicarboxylic acid, 1,4-bis(2-hydroxyethyl) ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

FRI - indicates a polymeric substance containing no free-radical initiator in its Inventory name but is considered to cover the designated polymer made with any free-radical initiator regardless of the amount used.

Status: Active Update: 10-01-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/33876

Hazards SummaryMay cause irritation; [MSDSonline]

Hazard Classes and CategoriesNot Classified

안전 및 보호

Disposal Methods · 1건

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

Non-Human Toxicity Excerpts · 1건

THE REDUCTASE ENZYME SYSTEM WHICH REDUCES P-DIMETHYLAMINOAZOBENZENE (DAB) & RELATED DYES & DEMETHYLASE ENZYME SYSTEMS WHICH N-DEMETHYLATE DAB ACTIVITIES OF LIVER FROM RATS FED THE DAB DIET WITH OR WITHOUT DISODIUM TEREPHTHALATE WERE MEASURED TO CLARIFY THE PARTICIPATION OF TEREPHTHALIC ACID IN DAB METABOLISM. BETA-HYDROXYETHYL TEREPHTHALATE INCREASED THE REDUCTASE ACTIVITY WHEN IT WAS GIVEN WITH DAB.

안전 데이터

tsca: TSCA listed

화학 및 산업

용도 및 제조

Uses · 2건

Used in the production of polyethylene terephthalate; [HSDB]

CAPTIVE CHEM INT IN MFR OF POLYETHYLENE TEREPHTHALATE

U.S. Production2022: 41,000 lb

Consumption PatternsESSENTIALLY 100% AS CAPTIVE CHEM INT FOR POLYETHYLENE TEREPHTHALATE

Methods of ManufacturingTRANSESTERIFICATION OF ETHYLENE GLYCOL WITH DIMETHYL TEREPHTHALATE; ESTERIFICATION OF ETHYENE GLYCOL WITH TEREPHTHALIC ACID

General Manufacturing Information · 3건

1,4-Benzenedicarboxylic acid, 1,4-bis(2-hydroxyethyl) ester: ACTIVE

Poly(oxy-1,2-ethanediyl), .alpha.,.alpha.'-(1,4-phenylenedicarbonyl)bis[.omega.-hydroxy-: ACTIVE

Bis(2-hydroxyethyl)terephthalate is formed as an intermediate in the manufacture of poly(ethylene terephthalate) through the esterification of terephthalic acid to form bishydroxyethyl terephthalate which is then polymerized in a transesterification reaction catalyzed by antimony oxide to form poly(ethylene terephthalate).