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아이소아밀 알코올

아이소아밀 알코올
아이소아밀 알코올 구조식 이미지
카스 번호:
123-51-3
한글명:
아이소아밀 알코올
동의어(한글):
이소아밀알코올;3-메틸뷰타놀;3-메틸부탄-1-올;아이소부틸카르비놀;아이소펜타놀;이소펜틸알코올;페르멘테이션아밀알코올;2-메틸-4-뷰타놀;3-메틸-1-부탄올,이소펜틸알코올;3-메틸-1-뷰타놀;아이소아밀알코올;아이소아밀알콜;아이소아밀올;이소아밀알콜;이소아밀알코올;아이소아밀 알코올
상품명:
3-Methyl-1-butanol
동의어(영문):
Isoamylol;FEMA 2057;FUSEL OIL;-1-butanoL;ISOPENTANOL;alcoolamilico;ios-Pentanol ;Methyl-1-buta;3-methylbutan-;Alcool amilico
CBNumber:
CB8852971
분자식:
C5H12O
포뮬러 무게:
88.15
MOL 파일:
123-51-3.mol

아이소아밀 알코올 속성

녹는점
-117 °C
끓는 점
131-132 °C
밀도
0.809 g/mL at 25 °C(lit.)
증기 밀도
3 (vs air)
증기압
2 mm Hg ( 20 °C)
굴절률
n20/D 1.407
FEMA
2057 | ISOAMYL ALCOHOL
인화점
109.4 °F
저장 조건
room temp
용해도
25g/l
물리적 상태
Liquid
산도 계수 (pKa)
>14 (Schwarzenbach et al., 1993)
Specific Gravity
0.813 (15/4℃)
색상
<20(APHA)
수소이온지수(pH)
7 (25g/l, H2O, 20℃)
냄새
Mild odor; alcoholic, non-residual.
pH 범위
5.6 at 25 g/l at 20 °C
Odor Threshold
0.0017ppm
폭발한계
1.2-9%, 100°F
수용성
25 g/L (20 ºC)
최대 파장(λmax)
λ: 260 nm Amax: 0.06
λ: 280 nm Amax: 0.06
JECFA Number
52
Merck
14,5195
BRN
1718835
Henry's Law Constant
33.1 at 37 °C (Bylaite et al., 2004)
노출 한도
NIOSH REL: TWA 100 ppm (360 mg/m3), IDLH 500 ppm; OSHA PEL: TWA 100 ppm; ACGIH TLV: TWA 100 ppm, STEL 125 ppm (adopted).
안정성
Stable. Flammable. Incompatible with strong oxidizing agents, strong acids, acid chlorides, acid anhydrides.
CAS 데이터베이스
123-51-3(CAS DataBase Reference)
NIST
1-Butanol, 3-methyl-(123-51-3)
EPA
3-Methyl-1-butanol (123-51-3)
안전
  • 위험 및 안전 성명
  • 위험 및 사전주의 사항 (GHS)
위험품 표기 Xn
위험 카페고리 넘버 10-20-37-66-20/22-R20/22-R10
안전지침서 46-16-S16
유엔번호(UN No.) UN 1105 3/PG 3
WGK 독일 1
RTECS 번호 EL5425000
자연 발화 온도 644 °F
TSCA Yes
위험 등급 3
포장분류 II
HS 번호 29335995
유해 물질 데이터 123-51-3(Hazardous Substances Data)
독성 LD50 orally in rats: 7.07 ml/kg (Smyth)
기존화학 물질 KE-23575
그림문자(GHS):
신호 어: Warning
유해·위험 문구:
암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드
H226 인화성 액체 및 증기 인화성 액체 구분 3 경고
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
예방조치문구:
P210 열·스파크·화염·고열로부터 멀리하시오 - 금연 하시오.
P261 분진·흄·가스·미스트·증기·...·스프레이의 흡입을 피하시오.
P280 보호장갑/보호의/보안경/안면보호구를 착용하시오.
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.
P337+P313 눈에 대한 자극이 지속되면 의학적인 조치· 조언를 구하시오.
P370+P378 화재 시 불을 끄기 위해 (Section 5. 폭발, 화재시 대처방법의 적절한 소화제)을(를) 사용하시오.
P405 밀봉하여 저장하시오.
P403+P235 환기가 잘 되는 곳에 보관하고 저온으로 유지하시오.
NFPA 704
2
1 0

아이소아밀 알코올 MSDS


3-Methyl-1-butanol

아이소아밀 알코올 C화학적 특성, 용도, 생산

개요

Isoamyl alcohol has a characteristic pungent odor and repulsive taste. Industrially prepared by rectification of fusel oil.

화학적 성질

Isoamyl alcohol has a fusel oil, whiskey-characteristic, pungent odor and repulsive taste.

화학적 성질

Amyl alcohols (pentanols) have eight isomers. All are flammable, colorless liquids, except the isomer 2,2- dimethyl-1-propanol, which is a crystalline solid.

화학적 성질

colourless liquid

화학적 성질

The air odor threshold for 3-methyl-1-butanol was reported as 0.042 ppm , which provides some acute warning for exposure to this chemical.

물리적 성질

Clear, colorless liquid with a pungent odor. An odor threshold concentration of 1.7 ppbv was reported by Nagata and Takeuchi (1990).

출처

Constitutes the major portion of fusel oil; also known as fermentation of amyl alcohol; it has been identified as an ester among the constituents of Roman chamomile oil; French peppermint, Java citronella, Réunion geranium, tea, Teucrium chamaedrys, Eucalyptus amigdalina, Achillea ageratum and Artemisia camphorata. It is reported present in the aromas of strawberry and raspberry. It is also reported found in over 230 natural sources including apple, apricot, banana, sweet and sour cherry, citrus peel oils and juices, berries, guava, grapes, raisin, melon, papaya, peach, pear, pineapple, asparagus, cabbage, kohlrabi, celery stalk and seed, leek, peas, potato, sauerkraut, tomato, ginger, mint oils, vinegar, mustard, bread, cheeses, butter, milk, fish,meats, cognac, rum, whiskies, cider, sherry, grape wines, tea, filberts, pecans, walnuts, oats, honey, soybean, avocado, Arctic bramble, olive, passion fruit, rose and Malay apple, mushroom, mango, tamarind, pear brandy, port, cardamom, gin, quince, radish, sukiyaki, sake, buckwheat, corn oil, sweet corn, laurel, malt, wort, cherimoya, loquat, Bourbon vanilla, shrimp, oysters, crayfish, mussels and scallops

용도

3-Methyl-1-butanol and 2-methyl-1-butanol are normally used as apple or banana flavoring agents for wine. They can also be used as chemical intermediates and solvents in pharmaceutical products.

용도

Isoamylol is one of the several isomers of amyl alcohol and the main ingredient in the production of banana oil.

용도

Solvent for fats, resins, alkaloids, etc.; manufacture of isoamyl (amyl) Compounds, isovaleric acid, mercury fulminate, pyroxylin, artificial silk, lacquers, smokeless powders; in microscopy; for dehydrating celloidin solutions; for determining fat in milk.

정의

ChEBI: An alkyl alcohol that is butan-1-ol substituted by a methyl group at position 3.

생산 방법

3-Methyl-1-butanol is used as solvents for oils, fats, resins, and waxes; in the plastics industry in spinning polyacrylonitrile; and in manufacturing lacquers, chemicals, and pharmaceuticals. It is also used as flavoring agents and in fragrances. Industrial exposure is principally by the dermal contact and inhalation.

제조 방법

Industrially prepared by rectification of fusel oil.

제조 방법

3-Methyl-1-butanol and 2-methyl-1-butanol were first isolated from fusel oils, by-products of ethanol fermentation by yeast. These compounds can also be derived from the chlorination of pentane followed by hydrolysis. Another alternative process is the oxo process, a general strategy for the manufacture of C4 and higher alcohols. Both the chlorination process and the oxo process are current commercial processes for the production of 3-methyl-1-butanol and 2-methyl-1-butanol, but the oxo process via the hydroformylation reaction is the more popular. Two main technologies are used for the process. The first was brought on stream by Ruhrchemie in Germany and Exxon in USA in the 1940s and is generally referred to as "high-pressure cobalt catalyst technology." The active catalyst species is cobalt hydrocarbonyl, and a pressure of 200–300 atm is required to maintain the stability of the catalyst. In the early 1960s, Shell commercialized a modern version of the cobalt catalyst process. This technology uses organophosphine ligands, which allows a lower operating pressure of 30–100 atm but at the expense of the catalyst activity. The Shell technology is employed primarily in the production of linear primary alcohols, whereas the high-pressure cobalt technology is frequently used in the production of branched alcohols.

Aroma threshold values

Detection: 250 ppb to 4.1 ppm

Taste threshold values

Taste characteristics at 50 ppm: fusel, fermented, fruity, banana, ethereal and cognac

일반 설명

Colorless liquid with a mild, choking alcohol odor. Less dense than water, soluble in water. Hence floats on water. Produces an irritating vapor.

공기와 물의 반응

Highly flammable. Water soluble.

반응 프로필

3-Methyl-1-butanol attacks plastics [Handling Chemicals Safely, 1980. p. 236]. Mixtures with concentrated sulfuric acid and strong hydrogen peroxide may cause explosions. Mixing with hypochlorous acid in water or water/carbon tetrachloride solution can generate isoamyl hypochlorites, which may explode, particularly on exposure to sunlight or heat. Mixing with chlorine would also yield isoamyl hypochlorites [NFPA 491 M, 1991]. Base-catalysed reactions with isocyanates can occur with explosive violence [Wischmeyer,1969].

위험도

Moderate fire risk. Vapor is toxic and irritant. Explosive limits in air 1.2–9%.

건강위험

Very high vapor concentrations irritate eyes and upper respiratory tract. Continued contact with skin may cause irritation.

화학 반응

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

잠재적 노출

(n-isomer); Suspected reprotoxic hazard, Primary irritant (w/o allergic reaction), (iso-, primary): Possible risk of forming tumors, Primary irritant (w/o allergic reaction), (sec-, active primary-, and other isomers) Primary irritant (w/o allergic reaction). Used as a solvent in organic synthesis and synthetic flavoring, pharmaceuticals, corrosion inhibitors; making plastics and other chemicals; as a flotation agent. The (n-isomer) is used in preparation of oil additives, plasticizers, synthetic lubricants, and as a solvent.

환경귀착

Biological. Using the BOD technique to measure biodegradation, the mean 5-d BOD value (mM BOD/mM isoamyl alcohol) and ThOD were 4.46 and 59.5%, respectively (Vaishnav et al., 1987).
Chemical/Physical. Isoamyl alcohol will not hydrolyze because it has no hydrolyzable functional group (Kollig, 1993).

운송 방법

UN2811 Pentanols, Hazard Class: 3; Labels: 3- Flammable liquid. UN1987 Alcohols, n.o.s., Hazard Class: 3; Labels: 3-Flammable liquid.

Purification Methods

Dry the alcohol by heating with CaO and fractionally distilling, then heating with BaO and redistilling. Alternatively, boil it with concentrated KOH solution, wash it with dilute H3PO4, and dry it with K2CO3, then anhydrous CuSO4, before fractionally distilling it. If very dry alcohol is required, the distillate is refluxed with the appropriate alkyl phthalate or succinate as described for ethanol. It is separated from 2-methyl-1-butanol by fractional distillation, fractional crystallisation and preparative gas chromatography. [Beilstein 1 IV 1677.]

비 호환성

Forms an explosive mixture with air. Contact with strong oxidizers and hydrogen trisulfide may cause fire and explosions. Incompatible with strong acids. Violent reaction with alkaline earth metals forming hydrogen, a flammable gas.

폐기물 처리

Dissolve or mix the material with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber. All federal, state, and local environmental regulations must be observed.

아이소아밀 알코올 준비 용품 및 원자재

원자재

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아이소아밀 알코올 공급 업체

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