O-크레졸

O-Cresol

HCID 335CAS 95-48-7

기본 정보

표준 SMILES
Cc1ccccc1O
InChIKey
QWVGKYWNOKOFNN-UHFFFAOYSA-N
분자식
C7H8O
평균 분자량
108.14 g/mol
단동위원소 질량
108.05751487

이름 및 식별자

우선 이름
O-Cresol
IUPAC
2-methylphenol
현지명
O-크레졸
영어명
o-Cresol
분자식
C7H8O
분자량
108.14

이름 및 동의어

o-cresol2-Methylphenol95-48-7Orthocresol2-hydroxytoluene2-Cresolo-methylphenolPhenol, 2-methyl-o-Cresylic acido-Toluolo-Oxytolueneo-Hydroxytoluene
이름 더 보기
O-크레졸O-크레솔1-메틸-2-하이드록시벤젠1-하이드록시-2-메틸벤젠2-메틸페놀2-크레졸2-하이드록시-1-메틸벤젠2-하이드록시톨루엔O-메틸페놀O-옥시톨루엔O-크레실산o-하이드록시톨루엔오쏘-크레솔크레솔, 오쏘페놀, 2-메틸-FEMA 3480Phenol,2-methyl-o-CresoORTHO CRESO
ortho-cresol1-Hydroxy-2-methylbenzeneo-Methylphenylolo-Kresol2-methyl phenol2-Hydroxy-1-methylbenzeneFEMA No. 3480DTXSID8021808

데이터베이스 식별자

CAS
95-48-7
PubChem CID
335
DTXSID
DTXSID8021808
ChEMBL
CHEMBL46931
ChEBI
CHEBI:28054
UNII
YW84DH5I7U
EC Number
202-423-8
Nikkaji
J1.176B

물성

구조 계산 물성

XLogP
2
극성 표면적
20.2 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
1
회전 가능 결합 수
0
무거운 원자 수
8

물리화학적 성질

녹는점
29 · 29-31 °C (lit.)
끓는 점
191 °C · 191 °C (lit.)
밀도
1.048 g/mL · 1.048 g/mL at 25 °C
증기 밀도
3.72 · 3.72 (vs air)
증기압
0.3 mm · 0.3 mm Hg ( 20 °C)
굴절률
1.5361 · 1.5361

화학적 성질

o-Cresol has a musty, phenolic aftertaste.

안전 및 규제

안전 데이터

OEB
B
OEL
TWA: 2.3 ppm (10 mg/m3)
wgk
1
IDLA
250 ppm
tsca
TSCA listed
rtecs
GO6300000

화학 및 산업

응용 분야 · 3건

출처Reported in Acacial farnesiana, ylang-ylang oil (probably as p-cresyl acetate), jasmine absolute, orange oil from leaves, the essence from flowers of Lilium candidum, anise seed oil, the essence of Artemisia santolinoflia, and some sea algae. Also reported found in asparagus, peppermint oil, cheddar cheese, provolone cheese, butter, milk, lean fish, boiled egg, smoked pork, rum, Scotch whiskey, red wine, white wine, coffee and mango.Reported found in cinnamon, coffee, Oriental tobacco, rum, sherry, tea, tomato and whiskey.

용도o-Cresol is used as a disinfectant and solvent. Lysol disinfectant is a 50% (v/v) mixed-cresol isomer in a soap emulsion formed on mixing with water. Besides disinfection products at solutions of 1–5%, the cresols are used as degreasing compounds, paintbrush cleaners, and additives in lubricating oils. Cresols were previously widely used for disinfection of poultry houses, but this use was discontinued because of their toxicity; they cause respiratory problems and abdominal edema in young chicks. o-Cresol has been used in synthetic resins, explosives, petroleum, photographic, paint, and agricultural industries.

일반 설명Colorless or yellow to brown-yellow or pinkish colored liquid with a phenol-like odor. Toxic by ingestion and/or skin absorption. May have a flash point between 100 and 199°F. Causes burns to skin, eyes and mucous membranes. Insoluble in water.

제조 방법 · 1건

생산 방법Approximately 60% of o-cresol is obtained from coal-tar and crude oil by using classical techniques such as distillation, stripping, and liquid–liquid extraction. The remaining 40% is obtained synthetically by the alkylation of phenol with methanol. The cresols (cresylic acids) are methyl phenols and generally appear as a mixture of isomers. o-Cresol is a 2-methyl derivative of phenol and is prepared from o-toluic acid or obtained from coal tar or petroleum. Crude cresol is obtained by distilling “gray phenic acid” at a temperature of ≈180–201°C. o-Cresol may be separated from the crude or purified mixture by repeated fractional distillation in vacuo. It can also be prepared synthetically by diazotization of the specific toluidine or by fusion of the corresponding toluenesulfonic acid with sodium hydroxide.

추가 설명

정의ChEBI: A cresol that is phenol substituted by a methyl group at position 2. It is a minor urinary metabolite of toluene.

관련 반응

387건

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