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3-자일렌

3-자일렌
3-자일렌 구조식 이미지
카스 번호:
108-38-3
한글명:
3-자일렌
동의어(한글):
3-자일렌;M-자일렌;m-크실렌;메타크실렌;M-크실렌;1,3-디메틸벤젠;M-메틸톨루엔;크실렌;M-크실롤;메타자일;1,3-다이메틸벤젠;1,3-자일렌;m-자일롤;메타-자일렌;벤젠, 1,3-다이메틸-
상품명:
m-Xylene
동의어(영문):
m-XyL;m-Xylol;M-XYLENE;3-xylene;ai3-08916;2,4-Xylene;META XYLEN;1,3-Xylene;META-XYLENE;M-Xylene 
CBNumber:
CB4852746
분자식:
C8H10
포뮬러 무게:
106.17
MOL 파일:
108-38-3.mol

3-자일렌 속성

녹는점
-48 °C (lit.)
끓는 점
138-139 °C (lit.)
밀도
0.868 g/mL at 25 °C (lit.)
증기 밀도
3.7 (vs air)
증기압
16 mm Hg ( 37.7 °C)
굴절률
n20/D 1.497(lit.)
인화점
77 °F
저장 조건
2-8°C
용해도
Miscible with many organic solvents, including alcohol and ether
물리적 상태
Liquid
산도 계수 (pKa)
>15 (Christensen et al., 1975)
색상
Colorless
냄새
Like benzene; characteristic aromatic.
폭발한계
1.1-7%(V)
Odor Threshold
0.041ppm
수용성
Miscible with organic solvents. Immiscible with water.
Merck
14,10081
BRN
605441
Henry's Law Constant
14.80 at 45.00 °C, 17.26.4 at 50.00 °C, 19.90 at 55.00 °C, 23.01.3 at 60.00 °C, 27.46.3 at 70.00 °C (static headspace-GC, Park et al., 2004)
노출 한도
NIOSH REL: 100 ppm (435 mg/m3), STEL 150 ppm (655 mg/m3), IDLH 900 ppm; OSHA PEL: TWA 100 ppm; ACGIH TLV: TWA 100 ppm, STEL 150 ppm (adopted).
InChIKey
IVSZLXZYQVIEFR-UHFFFAOYSA-N
CAS 데이터베이스
108-38-3(CAS DataBase Reference)
NIST
Benzene, 1,3-dimethyl-(108-38-3)
EPA
m-Xylene (108-38-3)
안전
  • 위험 및 안전 성명
  • 위험 및 사전주의 사항 (GHS)
위험품 표기 Xn,T,F
위험 카페고리 넘버 10-20/21-38-39/23/24/25-23/24/25-11-36/38
안전지침서 25-45-36/37-16-7
유엔번호(UN No.) UN 1307 3/PG 3
WGK 독일 2
RTECS 번호 ZE2275000
자연 발화 온도 982 °F
TSCA Yes
위험 등급 3
포장분류 II
HS 번호 29024200
유해 물질 데이터 108-38-3(Hazardous Substances Data)
독성 LD50 orally in rats: 7.71 ml/kg (Smyth)
기존화학 물질 KE-35428
유해화학물질 필터링 97-1-275
중점관리물질 필터링 별표1-59
함량 및 규제정보 물질구분: 유독물질; 혼합물(제품)함량정보: 크실렌 및 이를 85% 이상 함유한 혼합물
그림문자(GHS):
신호 어: Danger
유해·위험 문구:
암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드
H225 고인화성 액체 및 증기 인화성 액체 구분 2 위험 P210,P233, P240, P241, P242, P243,P280, P303+ P361+P353, P370+P378,P403+P235, P501
H226 인화성 액체 및 증기 인화성 액체 구분 3 경고
H304 삼켜서 기도로 유입되면 치명적일 수 있음 흡인 유해성물질 구분 1 위험
H312 피부와 접촉하면 유해함 급성 독성 물질 - 경피 구분 4 경고 P280,P302+P352, P312, P322, P363,P501
H315 피부에 자극을 일으킴 피부부식성 또는 자극성물질 구분 2 경고 P264, P280, P302+P352, P321,P332+P313, P362
H319 눈에 심한 자극을 일으킴 심한 눈 손상 또는 자극성 물질 구분 2A 경고 P264, P280, P305+P351+P338,P337+P313P
H332 흡입하면 유해함 급성 독성 물질 흡입 구분 4 경고 P261, P271, P304+P340, P312
H335 호흡 자극성을 일으킬 수 있음 특정 표적장기 독성 - 1회 노출;호흡기계 자극 구분 3 경고
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
H412 장기적 영향에 의해 수생생물에 유해함 수생 환경유해성 물질 - 만성 구분 3 P273, P501
예방조치문구:
P210 열·스파크·화염·고열로부터 멀리하시오 - 금연 하시오.
P260 분진·흄·가스·미스트·증기·...·스프레이를 흡입하지 마시오.
P261 분진·흄·가스·미스트·증기·...·스프레이의 흡입을 피하시오.
P273 환경으로 배출하지 마시오.
P280 보호장갑/보호의/보안경/안면보호구를 착용하시오.
P311 의료기관(의사)의 진찰을 받으시오.
P331 토하게 하지 마시오.
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.
P304+P340 흡입하면 신선한 공기가 있는 곳으로 옮기고 호흡하기 쉬운 자세로 안정을 취하시오.
P305+P351+P338 눈에 묻으면 몇 분간 물로 조심해서 씻으시오. 가능하면 콘택트렌즈를 제거하시오. 계속 씻으시오.
P370+P378 화재 시 불을 끄기 위해 (Section 5. 폭발, 화재시 대처방법의 적절한 소화제)을(를) 사용하시오.
NFPA 704
3
2 0

3-자일렌 C화학적 특성, 용도, 생산

화학적 성질

clear colourless liquid

화학적 성질

Xylene exists in three isomeric forms, ortho-, meta-, and para-xylene. Commercial xylene is a mixture of these three isomers and may also contain ethylbenzene as well as small amounts of toluene, trimethylbenzene, phenol, thiophene, pyridine, and other nonaromatic hydrocarbons. m-Xylene is predominant in commercial xylene.

물리적 성질

Clear, colorless, watery liquid with a sweet, aromatic odor. An odor threshold concentration of 48 ppbv was reported by Nagata and Takeuchi (1990).

용도

Meta-Xylene is used for the production of isophthalic acid, of agriculture chemicals as pharmaceuticals. It finds applications in paint and varnish removers and aerosol paint concentrates. Product Data Sheet

용도

m-Xylene is used in the production of isophthalic acid, which is a monomer and utilized in preparation of polyethylene terephthalate. It is used as an important starting material in the production of 2,4- and 2,6-xylidine. It is used as solvent in histology.

정의

ChEBI: A xylene carrying methyl groups at positions 1 and 3.

Synthesis Reference(s)

Journal of the American Chemical Society, 79, p. 2910, 1957 DOI: 10.1021/ja01568a059

일반 설명

A colorless watery liquid with a sweet odor. Less dense than water. Insoluble in water. Irritating vapor.

공기와 물의 반응

Highly flammable. Insoluble in water.

반응 프로필

m-Xylene may react with oxidizing materials. .

건강위험

Vapors cause headache and dizziness. Liquid irritates eyes and skin. If taken into lungs, causes severe coughing, distress, and rapidly developing pulmonary edema. If ingested, causes nausea, vomiting, cramps, headache, and coma; can be fatal. Kidney and liver damage can occur.

화재위험

Behavior in Fire: Vapor is heavier than air and may travel considerable distance to a source of ignition and flash back.

화학 반응

Reactivity with Water No reaction; Reactivity with Common Materials: No reaction; Stability During Transport: Stable; Neutralizing Agents for Acids and Caustics: Not pertinent; Polymerization: Not pertinent; Inhibitor of Polymerization: Not pertinent.

Safety Profile

Moderately toxic by intraperitoneal route. Wdly toxic by ingestion, skin contact, and inhalation. An experimental teratogen. Human systemic effects by inhalation: motor activity changes, ataxia, and irritabihty. Experimental reproductive effects. A severe skin irritant. A common air contaminant. A very dangerous fire hazard when exposed to heat or flame; can react with oxidzing materials. Explosive in the form of vapor when exposed to heat or flame. To fight fire, use foam, CO2, dry chemical. Emitted from modern building materials (CENEAR 69,22,91). When heated to decomposition it emits acrid smoke and irritating fumes. See also other xylene entries.

잠재적 노출

Xylene is used as a solvent; as a constituent of paint, lacquers, varnishes, inks, dyes, adhesives, cements, cleaning fluids, and aviation fuels; and as a chemical feed-stock for xylidines, benzoic acid; phthalic anhydride; isophthalic, and terephthalic acids; as well as their esters (which are specifically used in the manufacture of plastic materials and synthetic textile fabrics). Xylene is also used in the manufacture of quartz crystal oscillators, hydrogen peroxide; perfumes, insect repellants; epoxy resins; pharmaceuticals; and in the leather industry. m-Xylene is used as an intermediate in preparation of isophthalic acid; o-xylene is used in manufacture of phthalic anhydride and in pharmaceutical and insecticide synthesis. p-xylene is used in pharmaceutical and insecticide synthesis and in production of polyester.

Source

As m+p-xylene, detected in distilled water-soluble fractions of 87 octane gasoline, 94 octane gasoline, and Gasohol at concentrations of 7.00, 20.1, and 14.6 mg/L, respectively (Potter, 1996); in distilled water-soluble fractions of new and used motor oil at concentrations of 0.26 to 0.29 and 302 to 339 μg/L, respectively (Chen et al., 1994). The average volume percent and estimated mole fraction in American Petroleum Institute PS-6 gasoline are 4.072 and 0.04406, respectively (Poulsen et al., 1992). Diesel fuel obtained from a service station in Schlieren, Switzerland contained m/p-xylene at a concentration of 336 mg/L (Schluep et al., 2001).
Thomas and Delfino (1991) equilibrated contaminant-free groundwater collected from Gainesville, FL with individual fractions of three individual petroleum products at 24–25 °C for 24 h. The aqueous phase was analyzed for organic compounds via U.S. EPA approved test method 602. Average m+p-xylene concentrations reported in water-soluble fractions of unleaded gasoline, kerosene, and diesel fuel were 8.611, 0.658, and 0.228 mg/L, respectively. When the authors analyzed the aqueous-phase via U.S. EPA approved test method 610, average m+p-xylene concentrations in water-soluble fractions of unleaded gasoline, kerosene, and diesel fuel were lower, i.e., 6.068, 0.360, and 0.222 mg/L, respectively.
Based on laboratory analysis of 7 coal tar samples, m+p-xylene concentrations ranged from ND to 6,000 ppm (EPRI, 1990). A high-temperature coal tar contained m-xylene at an average concentration of 0.07 wt % (McNeil, 1983).
Schauer et al. (2001) measured organic compound emission rates for volatile organic compounds, gas-phase semi-volatile organic compounds, and particle-phase organic compounds from the residential (fireplace) combustion of pine, oak, and eucalyptus. The gas-phase emission rate of m-xylene + p-xylene was 60.0 mg/kg of pine burned. Emission rates of both isomers were not measured during the combustion of oak and eucalyptus.
Drinking water standard (final): For all xylenes, the MCLG and MCL are both 10 mg/L. In addition, a DWEL of 70 mg/L was recommended (U.S. EPA, 2000).

환경귀착

Biological. Microbial degradation produced 3-methylbenzyl alcohol, 3-methylbenzaldehyde, mtoluic acid, and 3-methylcatechol (quoted, Verschueren, 1983). m-Toluic acid was reported to be the biooxidation product of m-xylene by Nocardia corallina V-49 using n-hexadecane as the substrate (Keck et al., 1989). Reported biodegradation products of the commercial product containing xylene include α-hydroxy-p-toluic acid, p-methylbenzyl alcohol, benzyl alcohol, 4- methylcatechol, m- and p-toluic acids (Fishbein, 1985). In anoxic groundwater near Bemidji, MI, m-xylene anaerobically biodegraded to the intermediate m-toluic acid (Cozzarelli et al., 1990). In gasoline-contaminated groundwater, methylbenzylsuccinic acid was identified as the first intermediate during the anaerobic degradation of xylenes (Reusser and Field, 2002).
Photolytic. When synthetic air containing gaseous nitrous acid and m-xylene was exposed to artificial sunlight (λ = 300–450 nm) biacetyl, peroxyacetal nitrate, and methyl nitrate were formed (Cox et al., 1980). They reported a rate constant of 1.86 x 10-11 cm3/molecule?sec for the reaction of gaseous m-xylene with OH radicals based on a value of 8 x 10-12 cm3/molecule?sec for the reaction of ethylene with OH radicals.
Chemical/Physical. Under atmospheric conditions, the gas-phase reaction with OH radicals and nitrogen oxides resulted in the formation of m-tolualdehyde, m-methylbenzyl nitrate, nitro- mxylenes, 2,4- and 2,6-dimethylphenol (Atkinson, 1990). Kanno et al. (1982) studied the aqueous reaction of m-xylene and other aromatic hydrocarbons (benzene, toluene, o- and p-xylene, and naphthalene) 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 increased at lower pHs (Kanno et al., 1982). In the gas phase, m-xylene reacted with nitrate radicals in purified air forming pmethylbenzaldehyde, an aryl nitrate and trace amounts of 2,6-dimethylnitrobenzene, 2,4- dimethylnitrobenzene, and 3,5-dimethylnitrobenzene (Chiodini et al., 1993).

운송 방법

UN1307 Xylenes, Hazard Class: 3; Labels: 3-Flammable liquid.

Purification Methods

The general purification methods listed under xylene are applicable. The o-and p-isomers can be removed by their selective oxidation when a m-xylene sample containing them is boiled with dilute HNO3 (one part conc acid to three parts water). After washing with water and alkali, the product can be steam distilled, collected as for o-xylene, then distilled and purified further by sulfonation. [Clarke & Taylor J Am Chem Soc 45 831 1923.] m-Xylene is selectively sulfonated when a mixture of xylenes is refluxed with the theoretical amount of 50-70% H2SO4 at 85-95o under reduced pressure. By using a still resembling a Dean and Stark apparatus, water in the condensate can be progressively withdrawn while the xylene is returned to the reaction vessel. After cooling, then adding water, unreacted xylenes are distilled off under reduced pressure. The m-xylene sulfonic acid is subsequently hydrolysed by steam distillation up to 140o, the free m-xylene is washed, dried with silica gel and again distilled. It is stored over molecular sieves Linde type 4A. [Beilstein 5 H 370, 5 I 182, 5 II 287, 5 III 823, 5 IV 932.]

비 호환성

Vapor may form explosive mixture with air. Incompatible with oxidizers (chlorates, nitrates, peroxides, permanganates, perchlorates, chlorine, bromine, fluorine, etc.); contact may cause fires or explosions. Keep away from alkaline materials, strong bases, strong acids, oxoacids, and epoxides. Electrostatic charges can be generated from agitation or flow.

폐기물 처리

Consult with environmental regulatory agencies for guidance on acceptable disposal practices. Generators of waste containing this contaminant (≥100 kg/mo) must conform with EPA regulations governing storage, transportation, treatment, and waste disposal. Incineration.

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