4-메틸벤조페논

4-Methylbenzophenone

HCID 8652CAS 134-84-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1ccc(C(=O)c2ccccc2)cc1
InChIKey: WXPWZZHELZEVPO-UHFFFAOYSA-N
분자식: C14H12O
평균 분자량: 196.24 g/mol
단동위원소 질량: 196.088815

개요

structure in first source

이름 및 식별자

우선 이름: 4-Methylbenzophenone
IUPAC: (4-methylphenyl)-phenylmethanone
현지명: 4-메틸벤조페논
영어명: 4-Methylbenzophenone
분자식: C14H12O
분자량: 196.24

이름 및 동의어

4-Methylbenzophenone134-84-9Methanone, (4-methylphenyl)phenyl-DTXSID9037741B2F68X17BMDTXCID7017741NSC-4898RefChem:99849205-159-1phenyl(p-tolyl)methanonep-Methylbenzophenone(4-Methylphenyl)(phenyl)methanone

이름 더 보기

4-메틸벤조페논메틸벤조페논4-methybenzophenoneAPi-MBPNSC 4898YF-PI MBPusafdo-54USAF DO-54IHT-PI MBP

Phenyl p-tolyl ketonep-Benzoyltoluene4-Methyl benzophenone(4-methylphenyl)-phenylmethanone4-benzoyltoluenep-Benzophenone, methyl-MFCD00008553BENZOPHENONE, 4-METHYL-

데이터베이스 식별자

CAS: 134-84-9
PubChem CID: 8652
DTXSID: DTXSID9037741
ChEMBL: CHEMBL371531
UNII: B2F68X17BM
EC Number: 205-159-1
Nikkaji: J5.600F

물성

구조 계산 물성

XLogP: 3.8
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 15
형식 전하: 0
복잡도: 207

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Benzophenones

SpringerMaterials PropertiesBoiling point

Physical Description · 2건

Liquid; Large Crystals

Off-white crystalline powder; [Alfa Aesar MSDS]

물리화학적 성질

녹는점: 56.5 · 56.5-57 °C (lit.)
끓는 점: 326 °C · 326 °C (lit.)
밀도: 0.9926 · 0.9926
증기압: 0.059 Pa · 0.059Pa at 25℃
굴절률: 1.592 · 1.5920 (estimate)
인화점: 143 °C · 143 °C
저장 조건: Sealed in dry,Room Temperature
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 결정질 분말 또는 결정
색상: 흰색에서 베이지색
냄새: 희미한 냄새
수용성: 물에 불용성.
Merck: 14 · 14,7317
BRN: 1909310 · 1909310
주요 응용: 청소용품화장품향료 및 향음식 및 음료개인 위생 관리제약
화장품 원료 기능: 광안정기
InChI: 1S/C14H12O/c1-11-7-9-13(10-8-11)14(15)12-5-3-2-4-6-12/h2-10H,1H3
InChIKey: WXPWZZHELZEVPO-UHFFFAOYSA-N
SMILES: Cc1ccc(cc1)C(=O)c2ccccc2
LogP: 3.69 at · 3.69 at 25℃
NIST: Methanone, (4-methylphenyl)phenyl-(134-84-9)
EPA: 4 · 4-Methylbenzophenone (134-84-9)

화학적 성질

white to beige crystalline powder or crystals

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 76.4% (2135 of 2794) of all reports.

Warning

H302 (15.8%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2794 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 5건

Chemical: 4-methylbenzophenone

Regulation (EC) No 178/2002 (amended)

Methanone, (4-methylphenyl)phenyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Methanone, (4-methylphenyl)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: 08-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/21484

Methanone, (4-methylphenyl)phenyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryIntraperitoneal LD50 (mouse) = 250 mg/kg; [RTECS] May cause irritation; [Alfa Aesar MSDS]

Hazard Classes and CategoriesAcute Tox. 4 (15.8%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: DJ1750000
HS 번호: 29143990
risk_code: 22-36/38-36/37/38
hazard_code: Xi
safety_code: 24/25-36-26
기존화학 물질: 2002-3-2026
위험 참고 사항: Harmful/Irritant
Hazard Classifications: Aquatic Chronic 2STOT RE 2 Oral
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

U.S. Production2023: 700,000 - <850,000 lb

Consumer UsesNot Known or Reasonably Ascertainable

Industry UsesFiller

General Manufacturing Information · 2건

Printing and Related Support Activities

Methanone, (4-methylphenyl)phenyl-: ACTIVE

응용 분야 · 2건

용도4-Methylbenzophenone is used as clear coatings for wood, plastic and metal, overprint varnish.

일반 설명4-Methylbenzophenone is a photo-initiator for printing inks, mainly applied to the cardboard boxes used for packing. It is reported to be a non-genotoxic carcinogen. However, it can contaminate foodstuffs when it comes in contact with the package contents.