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P-크레졸

P-크레졸
P-크레졸 구조식 이미지
카스 번호:
106-44-5
한글명:
P-크레졸
동의어(한글):
P-크레솔;p-크레졸;크레졸;1-메틸-4-하이드록시벤젠;1-하이드록시-4-메틸벤젠;4-메틸페놀;4-크레솔;4-크레졸;4-하이드록시-1-메틸벤젠;4-하이드록시톨루엔;P-하이드록시톨루엔;크레솔, P-;파라-크레실릭산
상품명:
p-Cresol
동의어(영문):
1PO;p-Toluol;p-Kresol;P-CRESOL;4-Cresol;FEMA 2337;Paracresol;KRESOL-PARA;4-Cresol99%;para-cresol
CBNumber:
CB5453502
분자식:
C7H8O
포뮬러 무게:
108.14
MOL 파일:
106-44-5.mol

P-크레졸 속성

녹는점
32-34 °C(lit.)
끓는 점
202 °C(lit.)
밀도
1.034 g/mL at 25 °C(lit.)
증기 밀도
3.72 (vs air)
증기압
1 mm Hg ( 20 °C)
굴절률
nD20 1.5395
FEMA
2337 | P-CRESOL
인화점
193 °F
저장 조건
Store below +30°C.
용해도
20g/l
산도 계수 (pKa)
10.17(at 25℃)
물리적 상태
Crystalline Solid or Liquid
Specific Gravity
1.0341 (20/4℃)
색상
Colorless to light yellow, may darken on exposure to light
폭발한계
1%(V)
Odor Threshold
0.000054ppm
수용성
20 g/L (20 ºC)
감도
Light Sensitive
Merck
14,2579
JECFA Number
693
BRN
1305151
Henry's Law Constant
6.17 at 20.00 °C, 9.31 at 25.00 °C (dynamic equilibrium system-GC, Feigenbrugel et al., 2004a)
노출 한도
NIOSH REL: TWA 2.3 ppm (10 mg/m3), IDLH 250 ppm; OSHA PEL: TWA 5 ppm (22 mg/m3); ACGIH TLV: TWA for all isomers 5 ppm (adopted).
안정성
Stable. Combustible. Incompatible with strong oxidizing agents. Air and light-sensitive. Hygroscopic.
CAS 데이터베이스
106-44-5(CAS DataBase Reference)
NIST
Phenol, 4-methyl-(106-44-5)
EPA
p-Cresol (106-44-5)
안전
  • 위험 및 안전 성명
  • 위험 및 사전주의 사항 (GHS)
위험품 표기 T,Xi
위험 카페고리 넘버 24/25-34-39/23/24/25-23/24/25
안전지침서 36/37/39-45-36/37
유엔번호(UN No.) UN 3455 6.1/PG 2
WGK 독일 1
RTECS 번호 GO6475000
F 고인화성물질 8
자연 발화 온도 555 °C
위험 참고 사항 Irritant
TSCA Yes
위험 등급 6.1
포장분류 II
HS 번호 29071200
유해 물질 데이터 106-44-5(Hazardous Substances Data)
독성 LD50 orally in rats: 1.8 g/kg (Deichmann, Witherup)
기존화학 물질 KE-24794
유해화학물질 필터링 97-1-268
함량 및 규제정보 물질구분: 유독물질; 혼합물(제품)함량정보: 크레졸 및 이를 5% 이상 함유한 혼합물
그림문자(GHS):
신호 어: Danger
유해·위험 문구:
암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드
H301 삼키면 유독함 급성 독성 물질 - 경구 구분 3 위험 P264, P270, P301+P310, P321, P330,P405, P501
H311 피부와 접촉하면 유독함 급성 독성 물질 - 경피 구분 3 위험 P280, P302+P352, P312, P322, P361,P363, P405, P501
H314 피부에 심한 화상과 눈에 손상을 일으킴 피부부식성 또는 자극성물질 구분 1A, B, C 위험 P260,P264, P280, P301+P330+ P331,P303+P361+P353, P363, P304+P340,P310, P321, P305+ P351+P338, P405,P501
H318 눈에 심한 손상을 일으킴 심한 눈 손상 또는 자극성 물질 구분 1 위험 P280, P305+P351+P338, P310
H331 흡입하면 유독함 급성 독성 물질 흡입 구분 3 위험 P261, P271, P304+P340, P311, P321,P403+P233, P405, P501
H351 암을 일으킬 것으로 의심됨 (노출되어도 암을 일으키지 않는다는 결정적인 증거가 있는 노출경로가 있다면 노출경로 기재) 발암성 물질 구분 2 경고 P201, P202, P281, P308+P313, P405,P501
H370 장기(또는, 영향을 받은 알려진 모든 장기를 명시)에 손상을 일으킴(노출되어도 특정 표적장기 독성을 일으키지 않는다는 결정적인 노출경로가 있다면 노출경로를 기재) 특정 표적장기 독성 - 1회 노출 구분 1 위험 P260, P264, P270, P307+P311, P321,P405, P501
H372 장기간 또는 반복 노출되면 장기(또는, 영향을 받은 알려진 모든 장기를 명시)에 손상을 일으킴 특정 표적장기 독성 - 반복 노출 구분 1 위험 P260, P264, P270, P314, P501
H373 장기간 또는 반복 노출되면 장기(또는, 영향을 받은 알려진 모든 장기를 명시)에 손상을 일으킬 수 있음 특정 표적장기 독성 - 반복 노출 구분 2 경고 P260, P314, P501
H401 수생생물에 유독함 수생 환경유해성 물질 - 급성 구분 2 P273, P501
H412 장기적 영향에 의해 수생생물에 유해함 수생 환경유해성 물질 - 만성 구분 3 P273, P501
예방조치문구:
P201 사용 전 취급 설명서를 확보하시오.
P202 모든 안전 조치 문구를 읽고 이해하기 전에는 취급하지 마시오.
P260 분진·흄·가스·미스트·증기·...·스프레이를 흡입하지 마시오.
P264 취급 후에는 손을 철저히 씻으시오.
P264 취급 후에는 손을 철저히 씻으시오.
P270 이 제품을 사용할 때에는 먹거나, 마시거나 흡연하지 마시오.
P273 환경으로 배출하지 마시오.
P280 보호장갑/보호의/보안경/안면보호구를 착용하시오.
P310 즉시 의료기관(의사)의 진찰을 받으시오. 삼켰다면 즉시 의료기관(의사)의 도움을 받으시오.
P311 의료기관(의사)의 진찰을 받으시오.
P301+P310 삼켰다면 즉시 의료기관(의사)의 진찰을 받으시오.
P303+P361+P353 피부(또는 머리카락)에 묻으면 오염된 모든 의복은 벗거나 제거하시오 피부를 물로 씻으시오/샤워하시오.
P305+P351+P338 눈에 묻으면 몇 분간 물로 조심해서 씻으시오. 가능하면 콘택트렌즈를 제거하시오. 계속 씻으시오.
P307+P311 노출된 경우,독성 물질 센터 또는 의사에게 전화하기
P405 밀봉하여 저장하시오.
P501 ...에 내용물 / 용기를 폐기 하시오.
NFPA 704
2
3 0

P-크레졸 MSDS


4-Methylphenol

P-크레졸 C화학적 특성, 용도, 생산

물성

무색 황색을 띠는 투명한 액체.

용도

P- 크레졸,흰색 또는 무색 결정. 알코올에 용해, 에테르, 클로로포름 및 온수에. 주요 용도: 의학, 살충제, 향수, 합성 수지 및 염료, 등.

화학적 성질

Colorless to pink crystals with a phenolic odor. Odor threshold concentration in water is 55 ppb (Buttery et al., 1988). An experimentally determined odor threshold concentration of 1 ppbv was reported by Leonardos et al. (1969) which exceeds the odor threshold concentration of 0.054 ppbv reported by Nagata and Takeuchi (1990).

화학적 성질

Cresol is a mixture of the three isomeric cresols, o-, m-, and p-cresol. Cresols are slightly soluble in water. m-Isomer: Colorless or yellow liquid with characteristic odor.

화학적 성질

p-Cresol has a characteristics phenol-like odor.

물리적 성질

Colorless to pink crystals with a phenolic odor. Odor threshold concentration in water is 55 ppb (Buttery et al., 1988). An experimentally determined odor threshold concentration of 1 ppbv was reported by Leonardos et al. (1969) which exceeds the odor threshold concentration of 0.054 ppbv reported by Nagata and Takeuchi (1990).

출처

Has been found in a score of essential oils including ylang ylang and oil of jasmine (Gildemeister & Hoffman, 1966).

용도

For making synthetic resins; in disinfectants and fumigants; as industrial solvent; m-cresol in photographic developers, explosives.

용도

Intermediates of Liquid Crystals

용도

p-Cresol is used in the synthesis of Bupranolol (B689650), a non-selective beta blocker.

정의

ChEBI: A cresol that consists of toluene substituted by a hydroxy group at position 4. It is a metabolite of aromatic amino acid metabolism produced by intestinal microflora in humans and animals.

제조 방법

It can be prepared by fractional distillation of coal tar where it occurs together with the ortho- and para- isomers.

생산 방법

The cresols (cresylic acids) are methyl phenols and generally appear as a mixture of isomers. p-Cresol is a 4-methyl derivative of phenol and is prepared from m-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. p-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 toluene or by fusion of the corresponding toluenesulfonic acid with sodium hydroxide.

Aroma threshold values

Detection: 55 to 100 ppb.

Synthesis Reference(s)

Journal of the American Chemical Society, 81, p. 4230, 1959 DOI: 10.1021/ja01525a028
Chemical and Pharmaceutical Bulletin, 31, p. 749, 1983 DOI: 10.1248/cpb.31.749
Tetrahedron Letters, 21, p. 3731, 1980 DOI: 10.1016/0040-4039(80)80164-X

일반 설명

Colorless solid with a tar like odor. Sinks and mixes slowly with water.

공기와 물의 반응

Insoluble in water.

반응 프로필

p-Cresol is sensitive to heat. p-Cresol is also sensitive to light. p-Cresol is incompatible with strong oxidizers and strong alkalis. p-Cresol will attack some forms of plastics, coatings and rubber.

위험도

Questionable carcinogen.

건강위험

INHALATION: Irritation of nose or throat. EYES: Intense irritation and pain, swelling of conjunctiva and corneal damage may occur. SKIN: Intense burning, loss of feeling, white discoloration and softening. Gangrene may occur. INGESTION: Burning sensation in mouth and esophagus. Vomiting may result. Absorption by all routes may cause muscular weakness, gastroenteric disturbance, severe depression and collapse. Effects are primarily on central nervous system, edema of lungs, injury of spleen and pancreas may occur.

Safety Profile

Poison by ingestion, skin contact, subcutaneous, intravenous, and intraperitoneal routes. A severe skin and eye irritant. Questionable carcinogen with experimental neoplastigenic data by itself and with 7,12-dirnethyl benz(a)anthracene. Combustible when exposed to heat or flame. Moderately explosive in the form ofvapor when exposed to heat or flame. To fight fire, use CO2, dry chemical, alcohol foam. See also other cresol entries and PHENOL.

잠재적 노출

Cresol is used as a disinfectant and fumigant; as an ore flotation agent, and as an intermediate in the manufacture of chemicals, dyes, plastics, and antioxidants. A mixture of isomers is generally used; the concentrations of the components are determined by the source of the cresol.

Carcinogenicity

o-Cresol has been induced a few papillomas but no carcinomas in tumor studies.

Source

As 3+4-methylphenol, detected in distilled water-soluble fractions of 87 octane gasoline (6.03 mg/L), 94 octane gasoline (0.60 mg/L), Gasohol (1.76 mg/L), No. 2 fuel oil (1.84 mg/L), jet fuel A (0.43 mg/L), diesel fuel (1.318 mg/L), and military jet fuel JP-4 (0.92 mg/L) (Potter, 1996).
A high-temperature coal tar contained 4-methylphenol at an average concentration of 0.27 wt % (McNeil, 1983).
Occurs naturally in brown juniper, Spanish cedar, peppermint (2 to 20 ppb), tarragon, asparagus shoots, ylang-ylang, jasmine, tea leaves, coffee beans, Japanese privet, white mulberries, raspberries, vanilla, blueberries, sour cherries, anise, and tamarind (Duke, 1992).
A liquid swine manure sample collected from a waste storage basin contained 4-methylphenol at a concentration of 4.9 mg/L (Zahn et al., 1997).

환경귀착

Biological. Protocatechuic acid (3,4-dihydroxybenzoic acid) is the central metabolite in the bacterial degradation of 4-methylphenol. Intermediate by-products include 4-hydroxybenzyl alcohol, 4-hydroxybenzaldehyde, and 4-hydroxybenzoic acid. In addition, 4-methylphenol may undergo hydroxylation to form 4-methylcatechol (Chapman, 1972). Chloroperoxidase, a fungal enzyme isolated from Caldariomyces fumago, reacted with 4-methylphenol forming 4-methyl-2- chlorophenol (Wannstedt et al., 1990). Under methanogenic conditions, inocula from a municipal sewage treatment plant digester degraded 4-methylphenol to phenol prior to being mineralized to carbon dioxide and methane (Young and Rivera, 1985).
Photolytic. Photooxidation products reported include 2,2′-dihydroxy-4,4′-dimethylbiphenyl, 2- hydroxy-3,4′-dimethylbiphenyl ether, and 4-methylcatechol (Smith et al., 1978). Anticipated products from the reaction of 4-methylphenol with ozone or OH radicals in the atmosphere are hydroxynitrotoluene and ring cleavage compounds (Cupitt, 1980). Absorbs UV light at a maximum wavelength of 278 nm (Dohnal and Fenclová, 1995).
Chemical/Physical. Kanno et al. (1982) studied the aqueous reaction of 4-methylphenol and other substituted aromatic hydrocarbons (toluidine, 1-naphthylamine, phenol, 2- and 3- methylphenol, pyrocatechol, resorcinol, hydroquinone, and 1-naphthol) with hypochlorous acid in the presence of ammonium ion. They reported that the aromatic ring was not chlorinated as expected but was cleaved by chloramine forming cyanogen chloride. The amount of cyanogen chloride formed was increased as the pH was lowered (Kanno et al., 1982).

신진 대사

p-Cresol is oxidized at the methyl group in both dogs and rabbits to yield ρ-hydroxybenzoic acid. In the rabbit up to 10% of oral doses of 0.25-0.5 g is excreted as free and conjugated p-hydroxybenzoic acid (Williams, 1959).

운송 방법

UN2076 Cresols, liquid, Hazard class: 6.1; Labels: 6.1-Poisonous materials, 8-Corrosive material. UN3455 Cresols, solid, Hazard class: 6.1; Labels: 6.1- Poisonous materials, 8-Corrosive material.

Purification Methods

It can be separated from m-cresol by fractional crystalisation of its melt. Purify it by distillation, by precipitation from *benzene solution with pet ether, and via its benzoate, as for phenol. Dry it under vacuum over P2O5. It has also been crystallised from pet ether (b 40-60o) and by conversion to sodium p-cresoxyacetate which, after crystallisation from water is decomposed by heating with HCl in an autoclave [Savard Ann Chim (Paris) 11 287 1929]. The 3,5-dinitrobenzoate (prepared with 3,5-dinitrobenzoyl chloride in dry pyridine, and recrystallised from EtOH or aqueous Me2CO) has m 189o. [Beilstein 6 II 2093.]

비 호환성

Vapors may form explosive mixture with air. Incompatible with strong acids; oxidizers, alkalies, aliphatic amines; amides, chlorosulfonic acid; oleum. Decomposes on heating, producing strong acids and bases, causing fire and explosion hazard. Liquid attacks some plastics and rubber. Attacks many metals.

폐기물 처리

Wastewaters may be subjected to biological treatment. Concentrations may be further reduced by ozone treatment. High concentration wastes may be destroyed in special waste incinerators.

P-크레졸 준비 용품 및 원자재

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