기본 정보
- CAS
125-20-2- 표준 SMILES
Cc1cc(O)c(C(C)C)cc1C1(c2cc(C(C)C)c(O)cc2C)OC(=O)c2ccccc21- InChIKey
LDKDGDIWEUUXSH-UHFFFAOYSA-N- 분자식
- C28H30O4
- 평균 분자량
- 430.5 g/mol
- 단동위원소 질량
- 430.21440944
개요
Thymophthalein is a terpene lactone.
이름 및 식별자
- 우선 이름
- Thymolphthalein
- IUPAC
- 3,3-bis(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-benzofuran-1-one
- 현지명
- 티몰프탈레인
- 영어명
- Thymolphthalein
- 분자식
- C28H30O4
- 분자량
- 430.54
이름 및 동의어
THYMOLPHTHALEIN125-20-2Thymophthalein1(3H)-Isobenzofuranone, 3,3-bis[4-hydroxy-2-methyl-5-(1-methylethyl)phenyl]-YG5I28WSQPNSC-2186Phenolphthalein, 5',5''-diisopropyl-2',2''-dimethyl-3,3-Bis(4-hydroxy-5-isopropyl-o-tolyl)phthalideDTXSID20516331(3H)-Isobenzofuranone, 3,3-bis(4-hydroxy-2-methyl-5-(1-methylethyl)phenyl)-RefChem:189869DTXCID3030185
이름 더 보기
티몰프탈레인티몰프탈레인0.1%용액3,3-비스(4-하이드록시-2-메틸-5-(1-메틸에틸)페닐)-1(3H)-이소TPThymolpthaleinThymol peptidethymolphthalein solutionTHYMOLPHTHALEIN INDICATORVEGPthymolphtaleineThymolphthaiein
204-729-7MLS000736489NSC21863,3-bis(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-benzofuran-1-oneMFCD000059093,3-bis(4-hydroxy-5-isopropyl-2-methylphenyl)isobenzofuran-1(3H)-one5',5''-Diisopropyl-2',2''-dimethylphenolphthaleinTCMDC-123951
물성
구조 계산 물성
- XLogP
- 6.8
- 극성 표면적
- 66.8 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 636
실험 및 물리화학적 성질
Chemical ClassesDyes -> Indicator Dyes
Endocrine DisruptorsPotential endocrine disrupting compound
Physical Description
CBI
White solid; Available as pure compound, soluble monosodium salt, and solution; [CHEMINFO]
물리화학적 성질
- 녹는점
- 251 · 251-253 °C(lit.)
- 끓는 점
- 504.79 °C · 504.79°C (rough estimate)
- 밀도
- 0.92 g/mL · 0.92 g/mL at 25 °C
- 증기압
- 0.002 Pa · 0.002Pa at 90℃
- 굴절률
- 1.64 · 1.6400 (estimate)
- 인화점
- 74 °F · 74 °F
- 저장 조건
- no restrictions.
- 용해도
- 에탄올: 투명도 테스트 통과
- 물리적 상태
- 저융점 벌크 재료
- 산도 계수 (pKa)
- 9.7 · 9.70, 10.0(at 25℃)
- Specific Gravity
- 0.92 · 0.92
- 색상
- 흰색에서 약간 노란색
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 31.7% (13 of 41) of reports.
Danger
H341 (53.7%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]
P203, P280, P318, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: 1(3H)-Isobenzofuranone, 3,3-bis[4-hydroxy-2-methyl-5-(1-methylethyl)phenyl]-
1(3H)-Isobenzofuranone, 3,3-bis[4-hydroxy-2-methyl-5-(1-methylethyl)phenyl]- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1(3H)-Isobenzofuranone, 3,3-bis[4-hydroxy-2-methyl-5-(1-methylethyl)phenyl]- 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)
Status: Active Update: 24-07-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/27364
1(3H)-Isobenzofuranone, 3,3-bis[4-hydroxy-2-methyl-5-(1-methylethyl)phenyl]-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryThe dust may cause irritation; [CHEMINFO]
Hazard Classes and CategoriesMuta. 2 (53.7%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1170 3/PG 3
- HS 번호
- 29322980
- risk_code
- 11-40-10
- hazard_code
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Substances used for the detection, identification, analysis, etc. of chemical, biological, or pathologic processes or conditions. Indicators are substances that change in physical appearance, e.g., color, at or approaching the endpoint of a chemical titration, e.g., on the passage between acidity and alkalinity. Reagents are substances used for the detection or determination of another substance by chemical or microscopical means, especially analysis. Types of reagents are precipitants, solvents, oxidizers, reducers, fluxes, and colorimetric reagents. (From Grant & Hackh's Chemical Dictionary, 5th ed, p301, p499)
Chemicals and substances that impart color including soluble dyes and insoluble pigments. They are used in INKS; PAINTS; and as INDICATORS AND REAGENTS.
용도 및 제조
UsesA phthalein dye used as a pH indicator and chemical reagent; [CHEMINFO] Used as a pH indicator for the pH range of 9.3-10.5; [Ullmann]
U.S. Production2023: <50,000 lb
Industry UsesDye
Household ProductsInformation on 7 consumer products that contain Thymolphthalein in the following categories is provided:
General Manufacturing Information
Petroleum Refineries
1(3H)-Isobenzofuranone, 3,3-bis[4-hydroxy-2-methyl-5-(1-methylethyl)phenyl]-: ACTIVE
응용 분야
용도Thymolphthalein is a pH sensitive dye that has multiple uses such as testing hydration and/or saliva testing.
일반 설명Thymolphthalien is an acid-base indicator which is colourless in acidic form and deep blue in basic form. Acidic form retains hydrogen on each hydroxyl group. It is suitable in preparing disappearing ink.
관련 반응
5건
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