2,2-Dimethoxy-2-phenylacetophenone (HCID 90571)

개요

2,2-dimethoxy-2-phenylacetophenone has been reported in Camellia sinensis with data available.

이름 및 식별자

우선 이름: 2,2-Dimethoxy-2-phenylacetophenone
IUPAC: 2,2-dimethoxy-1,2-diphenylethanone
현지명: 알파,알파-디메톡시-알파-페닐아세토페논
영어명: 2,2-Dimethoxy-2-phenylacetophenone
분자식: C16H16O3
분자량: 256.3

이름 및 동의어

2,2-Dimethoxy-2-phenylacetophenone24650-42-82,2-Dimethoxy-1,2-diphenylethanoneBenzil dimethyl ketalIrgacure 651Ethanone, 2,2-dimethoxy-1,2-diphenyl-Kayacure BDMKBenzil dimethyl acetalEsacure KB 11,2-Diphenyl-2,2-dimethoxyethanoneLucirin BDKPhotomer 51

이름 더 보기

알파,알파-디메톡시-알파-페닐아세토페논페닐다이메톡시아세토페논DMPABDK2,2-bimethoxy-2-phenylacetophenoneirgacure6512,2-dimethoxy-1,2-diphenylethan-1-oneirg651Benzoin dimethyl etherIHT-PI BDKBenzoin diMethyl ether (DMPA)

Irgacure 621Irgacure 641Irgacure E 651Irgacure I 651Benzil mono(dimethyl ketal)Benzil mono(dimethyl acetal)Phenyldimethoxyacetophenone2,2-Dimethoxyphenylacetophenone

데이터베이스 식별자

CAS: 24650-42-8
PubChem CID: 90571
DTXSID: DTXSID7037715
ChEMBL: CHEMBL364734
UNII: 1DK0094V28
EC Number: 246-386-6
Nikkaji: J208.403A

물성

구조 계산 물성

XLogP: 3
극성 표면적: 35.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 5
무거운 원자 수: 19
형식 전하: 0
복잡도: 284

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Other Aromatic Compounds

Endocrine DisruptorsPotential endocrine disrupting compound

Physical Description · 2건

Dry Powder; Large Crystals

Colorless crystalline solid; [Sigma-Aldrich MSDS]

Collision Cross Section170.6 Å² [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID7037715]

물리화학적 성질

녹는점: 67 · 67-70 °C(lit.)
끓는 점: 169 °C · 169°C 7mm
밀도: 1.132 · 1.1320 (rough estimate)
증기압: 0.002 Pa · 0.002Pa at 25℃
굴절률: 1.559 · 1.5590 (estimate)
인화점: 190 °C · 190 °C
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 20 mg/mL, · 염화메틸렌: 20mg/mL, 투명
물리적 상태: 결정성 분말
색상: 흰색에서 연한 노란색
수용성: 66.32 mg/L · 66.32mg/L at 25℃
BRN: 2054295 · 2054295
안정성: 안정적이지만 빛에 민감합니다. 타기 쉬운. 강산, 강산화제와 호환되지 않습니다.
화장품 원료 기능: 향기
InChI: 1S/C16H16O3/c1-18-16(19-2,14-11-7-4-8-12-14)15(17)13-9-5-3-6-10-13/h3-12H,1-2H3
InChIKey: KWVGIHKZDCUPEU-UHFFFAOYSA-N
SMILES: COC(OC)(C(=O)c1ccccc1)c2ccccc2
LogP: 2.95 at · 2.95 at 25℃
NIST: 2 · Ethanone, 2,2-dimethoxy-1,2-diphenyl-(24650-42-8)
EPA: 2 · Ethanone, 2,2-dimethoxy-1,2-diphenyl- (24650-42-8)

화학적 성질

solid

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 0.3% (10 of 3373) of reports.

Warning

H302 (65.1%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P270, P273, P301+P317, P319, P330, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3373 reports by companies from 26 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 4건

Chemical: Ethanone, 2,2-dimethoxy-1,2-diphenyl-

Ethanone, 2,2-dimethoxy-1,2-diphenyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethanone, 2,2-dimethoxy-1,2-diphenyl- 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: 10-12-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/5410

Ethanone, 2,2-dimethoxy-1,2-diphenyl-: Non hazardous

Hazards Summary · 1건

Causes other liver changes and changes in liver and kidney weights in 90-day constant oral studies of rats; [RTECS] May cause irritation and respiratory sensitization; Causes photosensitivity, with light induced allergic reactions ranging from sunburn-like reactions to edematous, vesiculated lesions, or bullae; [Sigma-Aldrich MSDS] A mild eye irritant; No sensitization observed in experimental animals; [IGM Resins MSDS] See Benzoin.

Hazard Classes and CategoriesAcute Tox. 4 (65.1%)

독성 정보

Adverse EffectsDermatotoxin - PACD (photoallergic contact dermatitis).

안전 데이터

wgk: 2
tsca: TSCA listed
rtecs: KM5775658
ridadr: UN 3077 9/PG 3
HS 번호: 29145090
risk_code: 43-50/53
hazard_code: Xi,N
safety_code: 36/37-60-61
포장분류: III
위험 등급: 9
기존화학 물질: KE-11060
F 고인화성물질: 8
Hazard Classifications: Acute Tox. 4 OralAquatic Chronic 3STOT RE 2
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

Uses · 2건

Used to make large scale chemicals; [ExPub: ECHA REACH Registrations] Used as a photo-initiator for UV-curable inks, coatings, adhesives, fillers, etc.; [IGM Resins MSDS]

Painting (Pigments, Binders, and Biocides) [Category: Paint]

U.S. Production2023: 250,000 - <400,000 lb

Consumer UsesNot Known or Reasonably Ascertainable

Industry UsesTanning agents not otherwise specified

General Manufacturing Information · 2건

Miscellaneous Manufacturing

Ethanone, 2,2-dimethoxy-1,2-diphenyl-: ACTIVE