Resorcinol, 5-methyl-, monohydrate

HCID 3083941CAS 6153-39-5

기본 정보

표준 SMILES: Cc1cc(O)cc(O)c1.O
InChIKey: NBKPNAMTHBIMLA-UHFFFAOYSA-N
분자식: C7H10O3
평균 분자량: 142.15 g/mol
단동위원소 질량: 142.06299418

개요

See also: 1,3-Benzenediol, 5-methyl, monohydrate (annotation moved to); 3,5-Dihydroxy-1-methylbenzene (annotation moved to).

이름 및 식별자

우선 이름: Resorcinol, 5-methyl-, monohydrate
IUPAC: 5-methylbenzene-1,3-diol;hydrate
영어명: Orcinol monohydrate
분자식: C7H10O3
분자량: 142.15

이름 및 동의어

Orcinol monohydrate5-Methylresorcinol monohydrate1,3-Benzenediol, 5-methyl-, monohydrateResorcinol, 5-methyl-, monohydrateDTXSID60210522RefChem:8794665Methylresorcinol monohydrate3,5Dihydroxytoluene monohydrateResorcinol, 5methyl, monohydrateDTXCID901330136153-39-55-methylbenzene-1,3-diol hydrate

이름 더 보기

ORCINEORCINOMoss Black DoveORCIN MONOHYDRATEORCINOL extrapureORCINE MONOHYDRATERicin in one water3,5-Orcinol monohydrate5-Methylresorcinol

3,5-DIHYDROXYTOLUENE MONOHYDRATE5-methylbenzene-1,3-diol;hydrateMFCD001490925-methylresorcinol hydrateSCHEMBL2367405-Methylresorcinol, monohydrateOrcinol Monohydrate;Orcinol monohydrate, p.a., 99.0%

데이터베이스 식별자

CAS: 6153-39-5
PubChem CID: 3083941
DTXSID: DTXSID60210522

물성

구조 계산 물성

극성 표면적: 41.5 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 10
형식 전하: 0
복잡도: 82.9

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Phenols

Physical DescriptionSolid that reddens on exposure to air; [Merck Index] Crystalline solid; [Alfa Aesar MSDS]

물리화학적 성질

녹는점: 56 · 56-61 °C
끓는 점: 290 °C · 290 °C
밀도: 1.29 · 1.29
인화점: 147 °C/5mm · 147°C/5mm
저장 조건: room temp
용해도: 2 O: · H2O: 용해성50mg/mL
물리적 상태: 분말, 결정 또는 플레이크
색상: 회백색부터 황갈색까지
생물학적 소스: synthetic
수용성: 녹는
Merck: 14 · 14,6864
BRN: 5103474 · 5103474
안정성: 안정적인. 강한 산화제, 강산과 호환되지 않습니다. 공기에 민감할 수.
주요 응용: 진단 검사 제조혈액학조직학
InChI: 1S/C7H8O2.H2O/c1-5-2-6(8)4-7(9)3-5;/h2-4,8-9H,1H3;1H2
InChIKey: NBKPNAMTHBIMLA-UHFFFAOYSA-N
SMILES: O.Cc1cc(O)cc(O)c1

화학적 성질

White to beige crystalline powder

안전 및 규제

유해성 정보

Regulatory InformationResorcinol, 5-methyl-, monohydrate: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA skin and strong eye irritant; Harmful by ingestion; [Alfa Aesar MSDS] See Orcinol.

안전 데이터

wgk: 3
tsca: Yes
rtecs: VH2100000
HS 번호: 29072100
risk_code: 36/37/38-22-20/21/22
hazard_code: Xn
safety_code: 37/39-26-36
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

UsesFound in many lichen species; Used as a reagent for pentoses, lignin, beet sugar, saccharoses, arabinose, and diastase; [Merck Index]

응용 분야 · 3건

개요A pyranoquinolone alkaloid found in Oricia suaveolens, this base does not form salts with mineral acids. The structure has been established by synthesis as 6:7- dimethoxy-N-methylflindersine.

용도Orcinol monohydrate is usually used to prepare colorimetric reagents for the determination of RNA, DNA,and hexoses.

일반 설명Orcinol is a small-molecule natural phenol involved in the production of a dye called orcein used for the staining of cells and chromosomes. Orcinol monohydrate is usually used to prepare a colorimetric reagent known as Bial′s reagent for the determination of RNA, DNA, and hexoses.