산화 디페닐(2,4,6-트리메틸벤조일)포스핀
2,4,6-Trimethylbenzoyl diphenylphosphine oxide
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기본 정보
- CAS
75980-60-8- 표준 SMILES
Cc1cc(C)c(C(=O)P(=O)(c2ccccc2)c2ccccc2)c(C)c1- InChIKey
VFHVQBAGLAREND-UHFFFAOYSA-N- 분자식
- C22H21O2P
- 평균 분자량
- 348.4 g/mol
- 단동위원소 질량
- 348.12791654
이름 및 식별자
- 우선 이름
- 2,4,6-Trimethylbenzoyl diphenylphosphine oxide
- IUPAC
- diphenylphosphoryl-(2,4,6-trimethylphenyl)methanone
- 현지명
- 산화 디페닐(2,4,6-트리메틸벤조일)포스핀
- 영어명
- Diphenyl(2,4,6-trimethylbenzoyl)phosphine oxide
- 분자식
- C22H21O2P
- 분자량
- 348.37
이름 및 동의어
75980-60-8Diphenyl(2,4,6-trimethylbenzoyl)phosphine oxidePhosphine oxide, diphenyl(2,4,6-trimethylbenzoyl)-DTXSID4052502EINECS 278-355-8B9EIM2D97X2,4,6-trimethylbenzoyl diphenylphosphine oxidetrimethylbenzoyl diphenylphosphine oxideCHIVACURE TPODOUBLECURE TPOADDITOL TPOGENOCURE TPO
이름 더 보기
산화디페닐(2,4,6-트리메틸벤조일)포스핀산화디페닐(2,4,6-트리메틸벤조일)포스핀(DIPHENYL(2,4,6-TRIMETHYLBENZOYL)PHO...트라이메틸벤조일다이페닐포스핀옥사이드Photoinitiator TPOTMDPO(Diphenylphosphoryl)(Mesityl)Methanone2,4,6-TRIMETHYLBENZOYLDIPHENYLPHOSPHINE OXIDEbiphenyl(2,4,6-trimethyl-benzoyl)-phosphine oxide2,4,6-TRIMETHYLBENZOYLDIPHENYL PHOSPHINE OXIDE TPODiphenyl(2,4,6-triMethylbenzoyl)phosphine oxide (TPO)HRcure-TPOSPEEDCURE TPOUV photoinitiator TPO
Methanone, (diphenylphosphinyl)(2,4,6-trimethylphenyl)-DTXCID8031075EC 278-355-8(2,4,6-trimethylbenzoyl)diphenylphosphine oxide(DIPHENYLPHOSPHINYL)(2,4,6-TRIMETHYLPHENYL)METHANONERefChem:442966TRIMETHYLBENZOYL DIPHENYLPHOSPHINE OXIDE [INCI]278-355-8
데이터베이스 식별자
- CAS
75980-60-8- PubChem CID
- 166480
- DTXSID
DTXSID4052502- ChEMBL
CHEMBL3561198- UNII
- B9EIM2D97X
- EC Number
- 278-355-8
- Nikkaji
- J240.339K
물성
구조 계산 물성보충 중
- XLogP
- 5
- 극성 표면적
- 34.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 468
실험 및 물리화학적 성질
CosmeticsCosmetic ingredients (Trimethylbenzoyl Diphenylphosphine Oxide) -> CIR (Cosmetic Ingredient Review)
pH4 to 5
Density1.218 g/cm³ at 20 degrees C (OECD 109)
SolubilityWater solubility: 3.3 mg/L at 20 °C (OECD Guideline 105, Flask method) and 11.9 mg/L at 20 °C (OECD Guideline 105, Column elution). Readily soluble in dichloromethane, acetone, n-butylacetate; soluble in styrene and in other monomers.
Boiling PointGreater than 300 degrees C
Melting Point93 degrees C (OECD Guideline 102)
Vapor Pressure3.045 x 10-6 Pa at 25 degrees C
Physical Description
Large Crystals; Liquid; Liquid; CBI; Dry Powder
Solid (yellow powder)
Stability/Shelf LifeAt least two years (cool and dry; light sensitive, to be stored in the dark)
Collision Cross Section191.1 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID4052502]
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H317: May cause an allergic skin reaction [Warning Sensitization, Skin]
P203, P261, P272, P280, P302+P352, P318, P321, P333+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
This chemical does not meet GHS hazard criteria for 0.4% (13 of 3088) of reports.
Warning
H317 (12.5%): May cause an allergic skin reaction [Warning Sensitization, Skin]
유해성 정보
Regulatory Information
Chemical: Phosphine oxide, diphenyl(2,4,6-trimethylbenzoyl)-
Hazard Traits - Reproductive Toxicity
Methanone, (diphenylphosphinyl)(2,4,6-trimethylphenyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Methanone, (diphenylphosphinyl)(2,4,6-trimethylphenyl)- 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)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 03-03-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/13110
Substance: diphenyl(2,4,6-trimethylbenzoyl)phosphine oxide
Other Safety InformationIMAP assessments - Phosphine oxide, diphenyl(2,4,6-trimethylbenzoyl)-: Human health tier II assessment
Hazard Classes and Categories
Skin Sens. 1 (12.5%)
Reproductive toxicity - category 2
Repr. 1B
독성 정보
Toxicity Summary
A 2014 Expert Opinion by the European Commission's Scientific Committee on Consumer Safety (SCCS) noted that the acute oral LD50 of Trimethylbenzoyl diphenylphosphine oxide (TPO) in rats was greater than 5000 mg/kg body weight, the dermal LD50 in rats was greater than 2000 mg/kg body weight, and that no data are available for acute inhalation toxicity. Also, the 2014 Expert Opinion described 28-day and 90-day oral studies in rats. The NOAEL in the 28-day study was 50 mg/kg body weight/day and the NOAEL in the 90-day study was 100 mg/kg body weight/day. Further, TPO showed irritation potential to rabbit skin and rabbit eyes, showed moderate sensitization potential in a Local Lymph Node Assay (LLNA) test in mice, and showed no genotoxic/mutagenic potential in bacterial gene mutation and Chinese hamster V79 cell assays. In addition, the 2014 Expert Opinion noted that no carcinogenicity are available while repeated dose toxicity studies in rats found marked testicular atrophy. The 2014 Expert Opinion concluded that Trimethylbenzoyl diphenylphosphine oxide (TPO) is safe when used as a nail modelling product at a concentration of at maximum 5.0%. However, the 2014 SCCS Expert Opinion noted that TPO is considered a moderate skin sensitizer and that other potential uses in cosmetic products cannot be evaluated without further documentation. Further evaluation led to the European Commission prohibitiing the use of TPO in cosmetic products beginning on September 1, 2025 (via the adoption of Commission Regulation (EU) 2025/877). This was the result of TPO being classified as a CMR category 1B reproductive toxicant by Commission Delegated Regulation (EU) 2024/197 under the CLP Regulation (Regulation (EC) No 1272/2008), and this classification triggered the mandatory inclusion of TPO in Annex II (prohibited substances) of the Cosmetics Regulation via Regulation (EU) 2025/877.
화학 및 산업
약리 정보
Mechanism of Action
A 2021 review describes in detail the mechanism of actionr of trimethylbenzoyl-diphenylphosphine oxide as a type-1 photoinitiator in dental resin composites. It undergoes rapid cleavage from a triplet excited state to yield two radicals (trimethylbenzoyl radical and diphenylphosphinoyl radical) that initiate polymerization.
용도 및 제조
UsesCIR ingredient: Trimethylbenzoyl Diphenylphosphine Oxide
U.S. Production2023: 1,000,000 - <2,500,000 lb
Consumer Uses
Solvent
The European Commission prohibited the use of TPO in cosmetic products beginning on September 1, 2025 (via the adoption of Commission Regulation (EU) 2025/877). This was the result of TPO being classified as a CMR category 1B reproductive toxicant by Commission Delegated Regulation (EU) 2024/197 under the CLP Regulation (Regulation (EC) No 1272/2008), and this classification triggered the mandatory inclusion of TPO in Annex II (prohibited substances) of the Cosmetics Regulation via Regulation (EU) 2025/877.
Industry Uses
Not Known or Reasonably Ascertainable
A 2021 review describes use as a photoinitiator in dental resin composites.
Household ProductsCosmetics product ingredient: Diphenyl(2,4,6-trimethylbenzoyl)phosphine oxide (Trimethylbenzoyl diphenylphosphine oxide)
General Manufacturing Information
Printing Ink Manufacturing
Methanone, (diphenylphosphinyl)(2,4,6-trimethylphenyl)-: ACTIVE
응용 분야
용도Diphenyl(2,4,6-trimethylbenzoyl)phosphine oxide is a photo initiator, used in many kinds of ink industries
관련 반응
9건
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