기본 정보
- CAS
954-16-5- 표준 SMILES
Cc1cc(C)c(C(=O)c2ccccc2)c(C)c1- InChIKey
HPAFOABSQZMTHE-UHFFFAOYSA-N- 분자식
- C16H16O
- 평균 분자량
- 224.3 g/mol
- 단동위원소 질량
- 224.12011513
이름 및 식별자
- 우선 이름
- 2,4,6-Trimethylbenzophenone
- IUPAC
- phenyl-(2,4,6-trimethylphenyl)methanone
- 현지명
- 트라이메틸벤조페논
- 영어명
- 2,4,6-Trimethylbenzophenone
- 분자식
- C16H16O
- 분자량
- 224.3
이름 및 동의어
2,4,6-Trimethylbenzophenone954-16-5Methanone, phenyl(2,4,6-trimethylphenyl)-Ketone, mesityl phenylBenzophenone, 2,4,6-trimethyl-Mesitylene, 2-benzoyl-NSC 26923DTXSID8061349EC 403-150-9RefChem:821452,4,6-TrimetilbenzofenonDTXCID6048963
이름 더 보기
트라이메틸벤조페논2,4,6-트리메틸벤조페논C16H16O2,4,6-Trimethylbenzophenonsodium 4-(1-oxooctoxy)benzenesulfonatephenyl(2,4,6-trimethylphenyl)-methanon
403-150-9619-126-8HPAFOABSQZMTHE-UHFFFAOYSA-NMesityl(phenyl)methanoneMesityl phenyl ketonephenyl-(2,4,6-trimethylphenyl)methanoneBenzoylmesityleneMFCD02685558
데이터베이스 식별자
- CAS
954-16-5- PubChem CID
- 70380
- DTXSID
DTXSID8061349- ChEMBL
CHEMBL1731681- EC Number
- 403-150-9、619-126-8
- Nikkaji
- J443.522B
물성
구조 계산 물성
- XLogP
- 4.4
- 극성 표면적
- 17.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 17
- 형식 전하
- 0
- 복잡도
- 253
실험 및 물리화학적 성질
PolymersPolycyclic aromatic hydrocarbon
SpringerMaterials PropertiesDensity
Physical DescriptionLiquid
물리화학적 성질
- 녹는점
- 35 °C · 35 °C
- 끓는 점
- 326.5 · 326.5-327 °C(Press: 777 Torr)
- 밀도
- 1.036 · 1.036±0.06 g/cm3(Predicted)
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- 클로로포름 (약간 용해됨), DMSO (약간 용해됨)
- 물리적 상태
- 저융점 고체
- 색상
- 흰색에서 황백색까지
- Henry's Law Constant
- 3.8 · 3.8×100 mol/(m3Pa) at 25℃, Zhang et al. (2010)
- 화장품 원료 기능
- 광안정기
- InChI
- InChI=1S/C16H16O/c1-11-9-12(2)15(13(3)10-11)16(17)14-7-5-4-6-8-14/h4-10H,1-3H3
- InChIKey
- HPAFOABSQZMTHE-UHFFFAOYSA-N
- SMILES
- C(C1=CC=CC=C1)(C1=C(C)C=C(C)C=C1C)=O
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302: Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, P391, and P501 (click each P-code to see the statement)
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, P391, and P501 (click each P-code to see the statement)
유해성 정보
Regulatory Information
Chemical: 2,4,6-trimethylbenzophenone
Methanone, phenyl(2,4,6-trimethylphenyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Methanone, phenyl(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: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/8491
2,4,6-Trimethylbenzophenone: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and Categories
Acute Tox. 4 (100%)
Acute Tox. 4 (100%)
Acute toxicity - category 4
Acute Tox. 4 *
안전 데이터
- tsca
- TSCA listed
- risk_code
- 22-36-50/53
- hazard_code
- Xn,N
- safety_code
- 26-60-61
- 기존화학 물질
- 2001-3-1801
화학 및 산업
용도 및 제조
U.S. Production2023: <50,000 lb
Industry UsesTanning agents not otherwise specified
General Manufacturing Information
Plastics Material and Resin Manufacturing
Methanone, phenyl(2,4,6-trimethylphenyl)-: ACTIVE
응용 분야
용도2,4,6-Trimethylbenzophenone can be used for a consensus modeling for prediction of estrogenic activity of ingredients commonly used in sunscreen products.
상·하류 제품 정보
상류 원료
공급사100 곳
관련 반응
0건
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