3차부틸 하이드로 퍼옥사이드
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3차부틸 하이드로 퍼옥사이드 속성
- 녹는점
- -2.8 °C
- 끓는 점
- 37 °C (15 mmHg)
- 밀도
- 0.937 g/mL at 20 °C
- 증기압
- 62 mmHg at 45 °C
- 굴절률
- n
20/D 1.403
- 인화점
- 85 °F
- 저장 조건
- 2-8°C
- 산도 계수 (pKa)
- pK1: 12.80 (25°C)
- 물리적 상태
- 액체
- 색상
- 무색의
- 수용성
- 혼용 가능
- Merck
- 14,1570
- BRN
- 1098280
- 노출 한도
- No exposure limit is set. On the basis of its irritant properties a ceiling limit of 1.2 mg/m3 (0.3 ppm) is recommended.
- 안정성
- 안정적이지만 밀폐된 상태에서 가열하면 폭발할 수 있습니다. 미량의 금속, 분자체 또는 기타 오염물질에 의해 분해가 가속화될 수 있습니다. 환원제, 가연성 물질, 산과 호환되지 않습니다.
- InChIKey
- CIHOLLKRGTVIJN-UHFFFAOYSA-N
- LogP
- 1.230 (est)
- CAS 데이터베이스
- 75-91-2(CAS DataBase Reference)
안전
- 위험 및 안전 성명
- 위험 및 사전주의 사항 (GHS)
위험품 표기 | O,C,N,T | ||
---|---|---|---|
위험 카페고리 넘버 | 7-10-20/21/22-34-65-52/53-43-67-53-68-51/53-23-21/22 | ||
안전지침서 | 14-3/7-61-45-36/37/39-24-17-16-14A-26-62-47-43 | ||
유엔번호(UN No.) | UN 3109 5.2 | ||
WGK 독일 | 3 | ||
RTECS 번호 | EQ4900000 | ||
F 고인화성물질 | 3-21 | ||
자연 발화 온도 | Self-accelerating decomposition at 88 to 93 °C | ||
TSCA | Yes | ||
위험 등급 | 5.2 | ||
포장분류 | II | ||
HS 번호 | 29094990 | ||
유해 물질 데이터 | 75-91-2(Hazardous Substances Data) | ||
독성 | LD50 oral (rat) 406 mg/kg LD50 skin (rabbit) 460 mg/kg LC50 inhal (rat) 500 ppm (4 h) |
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기존화학 물질 | KE-11387 |
3차부틸 하이드로 퍼옥사이드 C화학적 특성, 용도, 생산
개요
tert-Butyl hydroperoxide (TBHP) is an organic peroxide widely used in a variety of oxidation processes.화학적 성질
tert-Butyl hydroperoxide (TBHP) is a water-white liquid commonly commercially available as a 70% solution in water; 80% solutions are also available. It is used to initiate polymerization reactions and in organic syntheses to introduce peroxy groups into the molecule. TBHP vapor can burn in the absence of air and may be flammable at either elevated temperature or at reduced pressure. Fine mist/spray may be combustible at temperatures below the normal flash point. When evaporated, the residual liquid will concentrate TBHP content and may reach an explosive concentration (>90%). Closed containers may generate internal pressure through the degradation of TBHP to oxygen . TBHP is a highly reactive product. The three types of significant physical hazards are flammability, thermal, and decomposition due to contamination. To minimize these hazards, avoid exposure to heat, fire, or any condition that will concentrate the liquid material. Store away from heat, sparks, open flames, foreign contaminants, combustibles, and reducing agents. Inspect containers frequently to identify bulges or leaks (7a, 125).용도
tert-Butyl hydroperoxide is used as an initiator for radical polymerization and in various oxidation process such as sharpless epoxidation. It is involved in osmium catalyzed vicinal hydroxylation of olefins under alkaline conditions. Furthermore, it is used in catalytic asymmetric oxidation of sulfides to sulfoxides using binaphthol as a chiral auxiliary and in the oxidation of dibenzothiophenes. It plays an important role for the introduction of peroxy groups in organic synthesis.생산 방법
TBHP is produced by the liquid-phase reaction of isobutane and molecular oxygen or by mixing equimolar amounts of t-butyl alcohol and 30–50% hydrogen peroxide. TBHP can also be prepared from t-butyl alcohol and 30% hydrogen peroxide in the presence of sulfuric acid or by oxidation of tert-butylmagnesium chloride. The manufacturing process of TBHP is in a closed system.정의
ChEBI: Tert-butyl hydroperoxide is an alkyl hydroperoxide in which the alkyl group is tert-butyl. It is widely used in a variety of oxidation processes. It has a role as an antibacterial agent and an oxidising agent.일반 설명
Watery odorless colorless liquid. Floats and mixes slowly with water.공기와 물의 반응
Water soluble.반응 프로필
Most alkyl monohydroperoxides are liquid. The explosivity of the lower members (e.g., methyl hydroperoxide, or possibly, traces of the dialkyl peroxides) decreasing with increasing chain length and branching [Bretherick 2nd ed. 1979 p. 10]. Though relatively stable, explosions have been caused by distillation to dryness [Milas, JACS 1946, 68, 205] or attempted distillation at atmospheric pressure [Castrantas 1965 p. 15].위험도
Moderate fire risk. Oxidizer.건강위험
tert-Butyl hydroperoxide is a strong irritant.Floyd and Stockinger (1958) observed thatdirect cutaneous application in rats did notcause immediate discomfort, but the delayedaction was severe. The symptoms were erythemaand edema within 2–3 days. Exposureto 500 mg in 24 hours produced asevere effect on rabbit skin, while a rinse of150 mg/min was severe to eyes.It is moderately toxic; the effects aresomewhat similar to those of MEK peroxide.Symptoms from oral administration in ratswere weakness, shivering, and prostration.
LD50 value, intraperitoneal (rats): 87 mg/kg
LD50 value, oral (rats): 406 mg/kg.
인화성 및 폭발성
tert-Butyl hydroperoxide is a flammable liquid and a highly reactive oxidizing agent. Pure TBHP is shock sensitive and may explode on heating. Carbon dioxide or dry chemical extinguishers should be used for fires involving tert-butyl hydroperoxide.Mechanism of action
The general mechanism of transition metal-catalyzed oxidative Mannich reactions of N, N-dialkyl anilines with tert-butyl hydroperoxide (TBHP) as the oxidant consists of a rate-determining single electron transfer (SET) that is uniform from 4-methoxy- to 4-cyano-N, N-dimethylanilines. The tert-butylperoxy radical is the major oxidant in the rate-determining SET step that is followed by competing backward SET and irreversible heterolytic cleavage of the carbon–hydrogen bond at the α-position to nitrogen. A second SET completes the conversion of N, N-dimethylaniline to an iminium ion that is subsequently trapped by the nucleophilic solvent or the oxidant prior to the formation of the Mannich adduct[1].Tert-butyl hydroperoxide could induce oxidative stress in liver mitochondria at low concentrations. The damaging effect of low concentrations of tBHP in the course of pyruvate oxidation in isolated liver mitochondria is caused by the opening of the nonspecific Ca2+-dependent cyclosporin A-sensitive pore in the inner mitochondrial membrane[2].
Safety Profile
Moderately toxic by ingestion and inhalation. A severe skin and eye irritant. Mutation data reported. At highest dosage levels, symptoms noted were severe depression, incoordmation, and cyanosis. Death was due to respiratory arrest. Very dangerous fire hazard when exposed to heat or flame, or by spontaneous chemical reaction such as with reducing materials. Moderately explosive; may explode during distillation. Violent reaction with traces of acid. Concentrated solutions may ignite spontaneously on contact with molecular sieve. Mixtures with transition metal salts may react vigorously and release oxygen. Forms an unstable solution with 1,2-dichloroethane. To fight fire, use alcohol foam, CO2, dry chemical. When heated to decomposition it emits acrid smoke and fumes. See also PEROXIDES, ORGANIC.Carcinogenicity
A study performed to evaluate the carcinogenicity of TBHP found it was not carcinogenic when applied to the skin of mice at 16.6% of the peroxide 6 times a week for 45 weeks. However, if its application was preceded by 0.05 mg of 4-nitroquinoline-1-oxide as a 0.25% solution in benzene applied 20 times over 7 weeks followed by TBHP (16.6% in benzene), then malignant skin tumors appeared between days 390 and 405 of the experiment . This supports the theory that peroxides are not complete carcinogens, but may act as promoters . The effects of TBHP on promotable and nonpromotable mouse epidermal cell culture lines were reported by Muehlematter et al. .저장
tert-butyl hydroperoxide should be stored in the dark at room temperature (do not refrigerate) separately from oxidizable compounds, flammable substances, and acids. Reactions involving this substance should be carried out behind a safety shield.비 호환성
tert-Butyl hydroperoxide and concentrated aqueous solutions of TBHP react violently with traces of acid and the salts of certain metals, including, in particular, manganese, iron, and cobalt. Mixing anhydrous tert-butyl hydroperoxide with organic and readily oxidized substances can cause ignition and explosion. TBHP can initiate polymerization of certain olefins.폐기물 처리
Excess tert-butyl hydroperoxide and waste material containing this substance should be placed in an appropriate container, clearly labeled, and handled according to your institution's waste disposal guidelines.3차부틸 하이드로 퍼옥사이드 준비 용품 및 원자재
원자재
과산화 수소
4-니트로-2-설포아닐린
tert-부틸알코올
Tert-butyl ester
황산수소tert-부틸에스테르
TERT-BUTYLMAGNESIUM CHLORIDE
콜레칼시페롤
비타민 C
1,1-디클로로에탄
이소낙산
준비 용품
3차부틸 하이드로 퍼옥사이드 공급 업체
글로벌( 258)공급 업체
공급자 | 전화 | 이메일 | 국가 | 제품 수 | 이점 |
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Sinomore New Material Company Limited | +86-13656229759 +86-13656229759 |
sales@sinomorechem.com | China | 25 | 58 |
Hebei Weibang Biotechnology Co., Ltd | +8615531157085 |
abby@weibangbio.com | China | 8812 | 58 |
Hebei Chuanghai Biotechnology Co,.LTD | +86-13131129325 |
sales1@chuanghaibio.com | China | 5893 | 58 |
Henan Tianfu Chemical Co.,Ltd. | +86-0371-55170693 +86-19937530512 |
info@tianfuchem.com | China | 21634 | 55 |
ATK CHEMICAL COMPANY LIMITED | +undefined-21-51877795 |
ivan@atkchemical.com | China | 32957 | 60 |
Tianjin Zhongxin Chemtech Co., Ltd. | +86-022-66880623 +8618622897568 |
sales@tjzxchem.com | China | 563 | 58 |
career henan chemical co | +86-0371-86658258 +8613203830695 |
sales@coreychem.com | China | 29884 | 58 |
Hubei Jusheng Technology Co.,Ltd. | 18871490254 |
linda@hubeijusheng.com | CHINA | 28172 | 58 |
Hubei xin bonus chemical co. LTD | 86-13657291602 |
linda@hubeijusheng.com | CHINA | 22963 | 58 |
Chongqing Chemdad Co., Ltd | +86-023-6139-8061 +86-86-13650506873 |
sales@chemdad.com | China | 39894 | 58 |