Methyl Benzoin

HCID 98097CAS 3524-62-7

기본 정보

표준 SMILES: COC(C(=O)c1ccccc1)c1ccccc1
InChIKey: BQZJOQXSCSZQPS-UHFFFAOYSA-N
분자식: C15H14O2
평균 분자량: 226.27 g/mol
단동위원소 질량: 226.09937969

이름 및 식별자

우선 이름: Methyl Benzoin
IUPAC: 2-methoxy-1,2-diphenylethanone
영어명: Benzoin methyl ether
분자식: C15H14O2
분자량: 226.27

이름 및 동의어

Benzoin methyl ether3524-62-7Methyl benzoin2-Methoxy-1,2-diphenylethanoneO-MethylbenzoinBenzoin methyl ester2-Methoxy-2-phenylacetophenoneNisso Cure MBOEthanone, 2-methoxy-1,2-diphenyl-Acetophenone, 2-methoxy-2-phenyl-alpha-MethoxydeoxybenzoinQCU 3

이름 더 보기

qcu3nissocurembomethylbenzoinBenzoinemethyletherMethyl benzoin etherBenzoinbismethylether

NSC 76550alpha-Methoxybenzyl phenyl ketoneXIF870BGWWNSC76550EINECS 222-538-7BRN 2052112AI3-10591NSC-76550

데이터베이스 식별자

CAS: 3524-62-7
PubChem CID: 98097
DTXSID: DTXSID60871031
UNII: XIF870BGWW
EC Number: 222-538-7
Nikkaji: J55.034E

물성

구조 계산 물성

XLogP: 2.7
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 4
무거운 원자 수: 17
형식 전하: 0
복잡도: 237

실험 및 물리화학적 성질

LogP1.38

물리화학적 성질

녹는점: 47.5 · 47.5-48.5 °C (lit.)
끓는 점: 188 · 188-189 °C (15 mmHg)
밀도: 1.128 · 1.128
굴절률: 1.653 · 1.6530 (estimate)
인화점: 230 °F · >230 °F
저장 조건: Inert atmosphere,Room Temperature
용해도: 메탄올에 용해됩니다.
물리적 상태: 가루
색상: 흰색에서 거의 흰색
Merck: 14 · 14,1093
BRN: 2052112 · 2052112
InChI: 1S/C15H14O2/c1-17-15(13-10-6-3-7-11-13)14(16)12-8-4-2-5-9-12/h2-11,15H,1H3
InChIKey: BQZJOQXSCSZQPS-UHFFFAOYSA-N
SMILES: COC(C(=O)c1ccccc1)c2ccccc2
EPA: 2 · Ethanone, 2-methoxy-1,2-diphenyl- (3524-62-7)

화학적 성질

white to pale green powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (97.9%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 4 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (97.9%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: AM9350000
ridadr: UN 2811 6.1/PG 3
독성: LD50 oral in mouse: 300mg/kg
HS 번호: 29145000
risk_code: 22
hazard_code: Xn
safety_code: 22-24/25
위험 등급: 6.1
Hazard Classifications: Acute Tox. 3 Oral
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

용도 및 제조

General Manufacturing InformationEthanone, 2-methoxy-1,2-diphenyl-: ACTIVE

응용 분야

용도Benzoin methyl ether is used in UV curing inks, wood coatings, paper coatings, optical fiber, PCB, screen printing , paper varnish and other surface coatings. It is used for anticratering in powder coatings.