2-Acetylhydroquinone (HCID 10279)

이름 및 식별자

우선 이름: 2-Acetylhydroquinone
IUPAC: 1-(2,5-dihydroxyphenyl)ethanone
영어명: 2',5'-Dihydroxyacetophenone
분자식: C8H8O3
분자량: 152.15

이름 및 동의어

490-78-81-(2,5-Dihydroxyphenyl)ethanone2',5'-DIHYDROXYACETOPHENONE2-AcetylhydroquinoneQuinacetophenoneAcetylhydroquinone1-(2,5-dihydroxyphenyl)ethan-1-oneEthanone, 1-(2,5-dihydroxyphenyl)-AcetylquinolAcetophenone, 2',5'-dihydroxy-1-Acetyl-2,5-dihydroxybenzene2,5-Dihydroxy-1-acetylbenzene

이름 더 보기

2,5-DIHYDROXYACETOPHENONE2,5-DHAP2-hydroxy-1-(3-hydroxyphenyl)ethan-1-one2,5-Dihydroxyphenyl methyl ketone, 2-Acetyl-1,4-dihydroxybenzene, 2-Acetylhydroquinone, Acetylquinol, Quinacetophenone

NSC 3759EINECS 207-716-4K1H7QH11ZHBRN 0637903AI3-18221NSC-3759DTXSID90600772-ACETYL-1,4-BENZENEDIOL

데이터베이스 식별자

CAS: 490-78-8
PubChem CID: 10279
DTXSID: DTXSID9060077
ChEMBL: CHEMBL2348532
ChEBI: CHEBI:173647
UNII: K1H7QH11ZH
EC Number: 207-716-4
Nikkaji: J6.045C

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 Point202 - 203 °C

Physical DescriptionSolid

Kovats Retention Index2162

물리화학적 성질

녹는점: 204 · 204-206 °C(lit.)
끓는 점: 234.6 °C · 234.6°C (rough estimate)
밀도: 1.2143 · 1.2143 (rough estimate)
굴절률: 1.4447 · 1.4447 (estimate)
저장 조건: 30 °C · Store below +30°C.
용해도: 50 mg/mL, · 디옥산: 50mg/mL, 투명
산도 계수 (pKa): 9.86 · 9.86±0.18(Predicted)
물리적 상태: 결정 또는 결정성 분말
색상: 노란색에서 노란색-녹색
수용성: 불용성
BRN: 637903 · 637903
화장품 원료 기능: 피부 컨디셔닝피부의 멜라닌 생성을 줄입니다항산화제
InChI: 1S/C8H8O3/c1-5(9)7-4-6(10)2-3-8(7)11/h2-4,10-11H,1H3
InChIKey: WLDWSGZHNBANIO-UHFFFAOYSA-N
SMILES: CC(=O)c1cc(O)ccc1O
LogP: 1.274 · 1.274 (est)
NIST: 1 · Ethanone, 1-(2,5-dihydroxyphenyl)-(490-78-8)
EPA: 1 · Ethanone, 1-(2,5-dihydroxyphenyl)- (490-78-8)

화학적 성질

yellow to yellow-green crystals or

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (98%): 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+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 50 reports by companies from 7 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 InformationEthanone, 1-(2,5-dihydroxyphenyl)-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (98%)

규제 정보

Regulatory InformationEthanone, 1-(2,5-dihydroxyphenyl)-: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: AM7700000
HS 번호: 29145000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
위험 참고 사항: Irritant
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

약리 정보

Cellular LocationsCytoplasm；Extracellular

용도 및 제조

UsesSynthetic Polymer MALDI Matrix Compounds

General Manufacturing InformationEthanone, 1-(2,5-dihydroxyphenyl)-: ACTIVE

응용 분야 · 2건

개요2',5'-Dihydroxyacetophenone is a natural phenolic compound that is found in many plants. It has been shown to have anti-inflammatory properties through its ability to inhibit the production of pro-inflammatory cytokines, such as tumor necrosis factor alpha and interleukin 1 beta.

용도2',5'-Dihydroxyacetophenone is an intermediate used in various synthetic preparations of pharmaceutical goods, 1-(2,5-Dihydroxyphenyl)ethanone was untilized in the synthesis of new flavonoid fatty acid esters with anti-adipogenic and glucose consumption enhancing activities.

제조 방법

Preparation by Fries rearrangement of hydroquinone diacetate,with aluminium chloride(91%) (76%)(63–77%) (55–60%)with zinc chloride in refluxing acetic acid (quantitative yield)with boron trifluoride etherate in benzene at reflux (65%).