4-에틸페놀

4-에틸페놀
4-에틸페놀 구조식 이미지
카스 번호:
123-07-9
한글명:
4-에틸페놀
동의어(한글):
4-에틸페놀
상품명:
4-Ethylphenol
동의어(영문):
PEP;Phenol,4-ethyl-;P-ETHYLPHENOL;2PO;4-EthyL;para-ethylphenol;4-hydroxyphenylethane;1-Hydroxy-4-ethylbenzene;GC>=97%;FEMA 3156
CBNumber:
CB2106353
분자식:
C8H10O
포뮬러 무게:
122.16
MOL 파일:
123-07-9.mol
MSDS 파일:
SDS

4-에틸페놀 속성

녹는점
40-42 °C(lit.)
끓는 점
218-219 °C(lit.)
밀도
1,011 g/cm3
증기 밀도
4.2 (vs air)
증기압
0.13 mm Hg ( 20 °C)
굴절률
1.5330
FEMA
3156 | P-ETHYLPHENOL
인화점
213 °F
저장 조건
Keep in dark place,Sealed in dry,Room Temperature
용해도
4.9g/L
물리적 상태
결정질 질량 또는 결정
산도 계수 (pKa)
pK1:10.0 (25°C)
Specific Gravity
1.0123 (20℃)
색상
흰색에서 갈색을 띤다
냄새
디프로필렌 글리콜 중 1.00%. 페놀성 Castoreum 연기 guaiacol
?? ??
향을 태우는 연기
수용성
4.9g/L(25℃)
JECFA Number
694
BRN
1363317
안정성
안정적인. 산 염화물, 산 무수물, 산화제와 호환되지 않습니다.
InChIKey
HXDOZKJGKXYMEW-UHFFFAOYSA-N
LogP
2.1 at 20℃ and pH7
표면장력
54mN/m at 998g/L and 22℃
CAS 데이터베이스
123-07-9(CAS DataBase Reference)
NIST
Phenol, 4-ethyl-(123-07-9)
EPA
p-Ethylphenol (123-07-9)
안전
  • 위험 및 안전 성명
  • 위험 및 사전주의 사항 (GHS)
위험품 표기 Xi,C
위험 카페고리 넘버 36/37/38-R36/37/38-34
안전지침서 26-36-S36-S26-45-36/37/39
유엔번호(UN No.) UN 2430 8/PG 3
WGK 독일 3
RTECS 번호 SL4040000
TSCA Yes
위험 등급 8
포장분류 III
HS 번호 29071900
유해 물질 데이터 123-07-9(Hazardous Substances Data)
기존화학 물질 KE-14029
그림문자(GHS): GHS hazard pictograms
신호 어: Danger
유해·위험 문구:
암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드
H318 눈에 심한 손상을 일으킴 심한 눈 손상 또는 자극성 물질 구분 1 위험 GHS hazard pictograms P280, P305+P351+P338, P310
예방조치문구:
P280 보호장갑/보호의/보안경/안면보호구를 착용하시오.
P305+P351+P338 눈에 묻으면 몇 분간 물로 조심해서 씻으시오. 가능하면 콘택트렌즈를 제거하시오. 계속 씻으시오.
NFPA 704
1
0

4-에틸페놀 MSDS


4-Ethylphenol

4-에틸페놀 C화학적 특성, 용도, 생산

개요

4-Ethylphenol (4-EP) is a phenolic compound with the formula C8H10O. It is colorless or white needles with a powerful woody-phenolic and yet somewhat sweet odor and tends to be yellow on exposure to light. It is slightly solouble in water, solouble in alcohol, ether and benzene and carbon disulfide. It is found in arabica coffee and can be produced in wine and beer by the spoilage yeast Brettanomyces. It is the starting material for the production of 4-vinylphenol and of various antioxidants and can also be used as an intermediate for pharmaceuticals and dyes. It is an industrially versatile commodity chemical widely applied in the pharmaceutical and food industries.

화학적 성질

4-Ethylphenol, also known as p-Ethylphenol, is a colorless or white crystalline compound. It can turn yellow when exposed to light. It has a powerful woody-phenolic, medicinal, yet somewhat sweet odor. Its melting point is 4143℃, boiling point is 218219°C, and flash point is 100°C. It has a relative density of 1.011 and a refractive index of 1.5239. It is slightly soluble in water and soluble in ethanol, ether, acetone, benzene, and carbon disulfide. It is a natural component found in foods such as egg fruit, European sour cranberry, pork, rum, whisky, and coffee.

출처

Reported found in yellow passion fruit, smoked fish, lean fish, beer, cognac, rum, whiskey, cider, sherry, grape wines and coffee

용도

4-Ethylphenol is suitable for use in the determination of 4-ethylguaiacol and 4-ethylphenol in the aroma of red wines using headspace-solid-phase microextraction method. It is a chemical reagent used in the synthesis of 5-HT1A receptor agonists endowed with antinociceptive activity in vivo. It is also used in the preparation of isopropylamides as potent and noncovalent proteosome inhibitors.

제조 방법

By catalytic reaction between phenol and ethylene or ethanol; by heating 8-chloro-3-ethylbenzene with NaOH in the presence of copper powder.

생산 방법

4-Ethylphenol is produced industrially by sulfonation of ethylbenzene under mild (kinetically controlled) conditions and subsequent alkali fusion of the 4-ethylbenzenesulfonic acid obtained. The purity of the commercial product is 98%.

일반 설명

4-Ethylphenol is a volatile phenol. It has been synthesized from p-coumaric acid by employing a synthetic medium containing Dekkera bruxellensis ISA 1791. It has been identified as an aroma compound in red wine.

위험도

Toxic material.

Safety Profile

Poison by intravenous route. When heated to decomposition it emits acrid smoke and irritating vapors.

Toxicology

4-Ethylphenol is a potentially toxic compound, capable of producing respiratory distress, cardiovascular collapse, shock, ventricular tachycardia, and coma in an adult. Liver, lung, central nervous system and renal injury may also occur. In case of exposure to eyes, irrigate exposed eyes with copious amounts of room temperature water for at least 15 minutes. Monitor for respiratory distress in case of inhalation exposure. Systemic manifestations of toxicity may include nausea, vomiting, diarrhea, dyspnea, tachypnea, pallor, and profuse sweating.

Purification Methods

Non-acidic impurities are removed by passing steam through a boiling solution containing 1 mole of the phenol and 1.75 moles of NaOH (as an aqueous 10% solution). The residue is cooled and acidified with 30% (v/v) H2SO4, and the free phenol is extracted into diethyl ether. The extract is washed with water, dried with CaSO4 and the ether is evaporated. The phenol is distilled at 100mm pressure through a Stedman gauze-packed column (p 11). It is further purified by fractional crystallisation by partial freezing, and by zone refining, under N2 [Biddiscombe et al. J Chem Soc 5764 1963]. Alternatively purify it via the benzoate, as for phenol. The 4-nitrophenylbenzoate has m 80o (from EtOH). [Beilstein 6 H 470, 6 III 1663, 5 IV 3020.]

참고 문헌

[1] https://en.wikipedia.org/wiki/4-Ethylphenol
[2] http://www.hmdb.ca/metabolites/HMDB29306
[3] https://toxnet.nlm.nih.gov/cgi-bin/sis/search2/f?./temp/~x8ypqu:1:cpp
[4] https://toxnet.nlm.nih.gov/cgi-bin/sis/search2/f?./temp/~x8ypqu:1:manf
[5] YING ZHANG Shaojun D Liangkun Long. Heterologous synthesis of 4-ethylphenol in engineered Escherichia coli[J]. Process Biochemistry, 2020, 96: Pages 157-164. DOI:10.1016/j.procbio.2020.06.003.
[6] WOHLFARTH C. Dielectric constant of 4-ethylphenol[C]. 1900: 0. DOI:10.1007/978-3-540-75506-7\_257.
[7] K H JONES  D J H P W Trudgill. 4-Ethylphenol metabolism by Aspergillus fumigatus.[J]. Applied and Environmental Microbiology, 1994, 60 6: 1978-1983. DOI:10.1128/aem.60.6.1978-1983.1994.

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