2',4'-Dihydroxyacetophenone (HCID 6990)

이름 및 식별자

우선 이름: 2',4'-Dihydroxyacetophenone
IUPAC: 1-(2,4-dihydroxyphenyl)ethanone
영어명: 2,4-Dihydroxyacetophenone
분자식: C8H8O3
분자량: 152.15

이름 및 동의어

89-84-92',4'-DIHYDROXYACETOPHENONE2,4-Dihydroxyacetophenone1-(2,4-Dihydroxyphenyl)ethanoneResacetophenone4-AcetylresorcinolResoacetophenoneEthanone, 1-(2,4-dihydroxyphenyl)-1-(2,4-dihydroxyphenyl)ethan-1-oneUC3V356VZCNSC-10883DTXSID4058998

이름 더 보기

2,4-DHAPHyMechroMoneNSC 37559NSC 10883AKOS 90593

CHEBI:18414RefChem:47128DTXCID7048667201-945-31-Acetyl-2,4-dihydroxybenzeneResorcinol, 4-acetyl-MFCD00002279Acetophenone, 2',4'-dihydroxy-

데이터베이스 식별자

CAS: 89-84-9
PubChem CID: 6990
DTXSID: DTXSID4058998
ChEMBL: CHEMBL243374
ChEBI: CHEBI:18414
UNII: UC3V356VZC
EC Number: 201-945-3
Nikkaji: J4.309E

물성

구조 계산 물성

XLogP: 1.7
극성 표면적: 57.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 155

실험 및 물리화학적 성질

Melting Point147 °C

Physical Description · 2건

Solid; [Merck Index] Yellow or gold powder; [Alfa Aesar MSDS]

Solid

Collision Cross Section127.2 Å² [M+H]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]；126.3 Å² [M-H]- [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]

물리화학적 성질

녹는점: 143 · 143-144.5 °C(lit.)
끓는 점: 234.6 °C · 234.6°C (rough estimate)
밀도: 1.18 g/mL · 1.18 g/mL at 25 °C(lit.)
굴절률: 1.4945 · 1.4945 (estimate)
저장 조건: Inert atmosphere,Room Temperature
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa): 7.96 · 7.96±0.18(Predicted)
물리적 상태: 결정질 분말 또는 결정
색상: 미색부터 핑크, 브라운까지
수소이온지수(pH): 5 · 5 (1g/l, H2O, 20℃)
Merck: 14 · 14,8140
BRN: 1282505 · 1282505
화장품 원료 기능: 피부 컨디셔닝피부의 멜라닌 생성을 줄입니다항산화제
InChI: 1S/C8H8O3/c1-5(9)7-3-2-6(10)4-8(7)11/h2-4,10-11H,1H3
InChIKey: SULYEHHGGXARJS-UHFFFAOYSA-N
SMILES: CC(=O)c1ccc(O)cc1O
LogP: 1.48 · 1.480 (est)
NIST: 1 · Ethanone, 1-(2,4-dihydroxyphenyl)-(89-84-9)
EPA: 1 · Ethanone, 1-(2,4-dihydroxyphenyl)- (89-84-9)

화학적 성질 · 1건

2,4-Dihydroxyacetophenone appears as a yellow-brown to reddish-brown fine crystalline powder. It slowly decomposes in water and can dissolve in hot alcohol, pyridine, and glacial acetic acid. In contrast, it is nearly insoluble in ether, benzene, and chloroform. A reaction with iron chloride causes it to adopt a red hue.

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H315 (98%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (96.1%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (96.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 51 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Regulatory Information · 2건

Status: Active Update: 12-03-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/27965

2',4'-Dihydroxyacetophenone: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA severe eye irritant; [RTECS] Decomposed slowly by water; [Merck Index] An irritant that may cause serious eye injury; [Alfa Aesar MSDS] See Acetophenone and Resorcinol.

Hazard Classes and CategoriesSkin Irrit. 2 (98%)；Eye Dam. 1 (96.1%)；STOT SE 3 (96.1%)

규제 정보

Regulatory Information · 2건

Status: Active Update: 12-03-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/27965

2',4'-Dihydroxyacetophenone: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

wgk: 2
tsca: TSCA listed
rtecs: AM7525000
HS 번호: 29145000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-24/25
위험 참고 사항: Irritant
Hazard Classifications: Eye Irrit. 2
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

약리 정보

Metabolism/MetabolitesResacetophenone has known human metabolites that include 2,4-Dihydroxyacetophenone 5-sulfate.

Cellular LocationsCytoplasm；Extracellular

용도 및 제조

UsesUsed as a reagent for iron (in 10% alcoholic solution); [Merck Index]

General Manufacturing InformationEthanone, 1-(2,4-dihydroxyphenyl)-: ACTIVE

응용 분야 · 1건

용도2,4-Dihydroxyacetophenone (cas# 89-84-9) is a compound useful in organic synthesis. It is also used as intermediate for pharmaceuticals. Reagent for iron as a 10% alcoholic solution. A red color is obtained with ferric ions in slightly acid solution: Cooper, Ind. Eng. Chem. Anal. Ed. 9, 334 (1937).

제조 방법 · 1건

Preparation by reaction of acetic acid on resorcinol,with zinc chloride (Nencki reaction) (94%)with boron trifluoridewith Amberlite IR-120 (a cation exchange resin, sulfonic acid type) (87%)with polyphosphoric acid (63%)with 70% perchloric acid (33%).

상·하류 제품 정보

상류 원료

염화 아연 Benzene

하류 제품

7-하이드록시쿠마린 1-[4-(Benzoyloxy)-2-hydroxyphenyl]-3-phenyl-1,3-propanedione 1-(2,4-비스(벤조일옥시)페닐)에타논 7-Hydroxyflavone 2′,4′-디하이드록시칼콘 3,7-디하이드록시플라본 4-하이드록시-7-METHOXYCOUMARIN 7-히드록시플라바논 ROBINETIN 4'-벤질옥시-2'-하이드록시아세토페논 4-에틸-1,3-디히드록시벤젠 다이메톡시톨릴프로필레조시놀

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

INTATRADE GmbH+49 3493/605464 · [email protected]

추가 설명

정의ChEBI: 2',4'-dihydroxyacetophenone is a dihydroxyacetophenone that is acetophenone carrying hydroxy substituents at positions 2' and 4'. It has a role as a plant metabolite. It is a member of resorcinols and a dihydroxyacetophenone.

연결된 노트

불러오는 중…

2',4'-Dihydroxyacetophenone

기본 정보