오르시놀

Orcinol

HCID 10436CAS 504-15-4

기본 정보

표준 SMILES
Cc1cc(O)cc(O)c1
InChIKey
OIPPWFOQEKKFEE-UHFFFAOYSA-N
분자식
C7H8O2
평균 분자량
124.14 g/mol
단동위원소 질량
124.0524295

개요

Orcinol is a 5-alkylresorcinol in which the alkyl group is specified as methyl. It has a role as an Aspergillus metabolite. It is a 5-alkylresorcinol and a dihydroxytoluene.

이름 및 식별자

우선 이름
Orcinol
IUPAC
5-methylbenzene-1,3-diol
현지명
오르시놀
영어명
Orcinol
분자식
C7H8O2
분자량
124.14

이름 및 동의어

Orcinol3,5-Dihydroxytoluene504-15-45-METHYLRESORCINOL1,3-Dihydroxy-5-methylbenzeneOrcin5-Methyl-1,3-benzenediol1,3-Benzenediol, 5-methyl-3-Hydroxy-5-methylphenol3,5-Toluenediol534PMB3438DTXSID2060123
이름 더 보기
오르시놀Methylresorcinol5-Methyl-benzene-1,3-diolOrcilCrinoline
CHEBI:16536NSC-12441RefChem:168440DTXCID0040830207-984-25-methylbenzene-1,3-diol5-MethylresorcinResorcinol, 5-methyl-

데이터베이스 식별자

CAS
504-15-4
PubChem CID
10436
DTXSID
DTXSID2060123
ChEMBL
CHEMBL110059
ChEBI
CHEBI:16536
UNII
534PMB3438
EC Number
207-984-2
Nikkaji
J6.215D

물성

구조 계산 물성

XLogP
1.6
극성 표면적
40.5 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
2
회전 가능 결합 수
0
무거운 원자 수
9

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Phenols
SpringerMaterials PropertiesBoiling point
Vapor Pressure0.0028 [mmHg]
Physical DescriptionSolid; [Sigma-Aldrich MSDS]

물리화학적 성질

녹는점
106 · 106-112 °C(lit.)
끓는 점
290 °C · 290 °C
밀도
1.29 · 1.2900
굴절률
1.4922 · 1.4922 (estimate)
인화점
159 °C · 159 °C
저장 조건
20 °C · Store at <= 20°C.

화학적 성질

pink-grey to pink-brown powder or crystals.

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 66 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Chemical: 1,3-Benzenediol, 5-methyl-

Orcinol: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazards Summary · 1건

Causes convulsions and coma in subcutaneous lethal-dose studies of guinea pigs and rats; [RTECS] A skin and strong eye irritant; Harmful by ingestion; Prolonged or repeated exposure may cause eye injury; [Sigma-Aldrich MSDS] See 2-Methyl-1,4-hydroquinone, 1,3-Benzenediol, 2-methyl-, Resorcinol, and Cresol, all isomers.

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
VH2100000
ridadr
2811
독성
LD50 orally in Rabbit: > 2000 mg/kg LD50 dermal Rabbit > 5000 mg/kg
HS 번호
29072900

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 1건

Substances used for the detection, identification, analysis, etc. of chemical, biological, or pathologic processes or conditions. Indicators are substances that change in physical appearance, e.g., color, at or approaching the endpoint of a chemical titration, e.g., on the passage between acidity and alkalinity. Reagents are substances used for the detection or determination of another substance by chemical or microscopical means, especially analysis. Types of reagents are precipitants, solvents, oxidizers, reducers, fluxes, and colorimetric reagents. (From Grant &amp; Hackh&apos;s Chemical Dictionary, 5th ed, p301, p499)

용도 및 제조

UsesFound in many lichen species; Used as a reagent for pentoses, lignin, beet sugar, saccharoses, arabinose, and diastase; [Merck Index]
General Manufacturing Information1,3-Benzenediol, 5-methyl-: ACTIVE
응용 분야 · 1건

용도Orcinol can be used to synthesize:Orcinol-containing azacryptands for use in optical amplifiers and light-emitting devices.Ternary co-crystal with 4,4′-bipyridine.Low-density carbon aerogels in the presence of formaldehyde.PEG-orcinol coumarins with potent tyrosinase inhibitory activity.

제조 방법 · 1건

Orcinol has been isolated from numerous lichen fungi (Robiquet, 1829) and can be synthesized by decarboxylation of orsellinic acid in Umbilicaria papulosa and Gliocladium roseum (Pettersson, 1965; Mosbach and Ehrensvard, 1966).Orcinol was first prepared by dehydroacetic acid, a conversion that involved ring-opening of the pyrone to a triketone. This early experiment helped establish the rich condensation chemistry of polyketides. It can be obtained by fusing extract of aloes with potash, followed by acidification.US3865884A: Preparation of orcinol

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]
南京凯美西化工有限公司02558748998 18951874644 · [email protected]

추가 설명

정의ChEBI: Orcinol is a 5-alkylresorcinol in which the alkyl group is specified as methyl. It has a role as an Aspergillus metabolite. It is a 5-alkylresorcinol and a dihydroxytoluene.

관련 반응

55건

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