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아세트초산에틸

아세트초산에틸 구조식 이미지

카스 번호:: 141-97-9

한글명:: 아세트초산에틸

동의어(한글):: 에틸아세토아세테이트;아세토아세트산에틸;아세트초산에틸;아세토아세트산에틸;에틸 아세토아세테이트;1-에톡시뷰테인-1,3-다이온;3-옥소뷰탄산, 에틸 에스터;3-옥소뷰티르산, 에틸 에스터;아세토아세트산, 에틸 에스터;에틸 3-옥소뷰타노에이트;에틸 아세틸아세테이트

상품명:: Ethyl acetoacetate

동의어(영문):: ETHYL 3-OXOBUTANOATE;ACE;EAA;Ethyl acetoacetate, 99%, pure;ACETOACETIC ESTER;Ethyl acetyl acetate;Acetoacetic acid ethyl;Ethyl acetoacetate(EAA);Ethyl acetoacetate, extra pure;3-OXOBUTANOIC ACID ETHYL ESTER

CBNumber:: CB0301721

분자식:: C6H10O3

포뮬러 무게:: 130.14

MOL 파일:: 141-97-9.mol

MSDS 파일:: SDS

속성

안전

MSDS

용도

공급 업체 862

아세트초산에틸 속성

녹는점: −43 °C(lit.)

끓는 점: 181 °C(lit.)

밀도: 1.029 g/mL at 20 °C(lit.)

증기 밀도: 4.48 (vs air)

증기압: 1 mm Hg ( 28.5 °C)

FEMA: 2415 | ETHYL ACETOACETATE

굴절률: n20/D 1.419

인화점: 185 °F

저장 조건: Store below +30°C.

용해도: 116g/L(20°C)

산도 계수 (pKa): 11(at 25℃)

물리적 상태: 액체

색상: APHA: ≤15

Specific Gravity: 1.027～1.035 (20/4℃)

상대극성: 0.577

수소이온지수(pH): 4.0 (110g/l, H2O, 20℃)

냄새: 기분 좋은 과일 맛.

?? ??: 과일 같은

폭발한계: 1.0-54%(V)

수용성: 116g/L(20℃)

JECFA Number: 595

Merck: 14,3758

BRN: 385838

Dielectric constant: 15.0（Ambient）

안정성: 안정적인. 산, 염기, 산화제, 환원제, 알칼리 금속과 호환되지 않습니다. 타기 쉬운.

InChIKey: XYIBRDXRRQCHLP-UHFFFAOYSA-N

LogP: 0.8 at 20℃

CAS 데이터베이스: 141-97-9(CAS DataBase Reference)

NIST: Butanoic acid, 3-oxo-, ethyl ester(141-97-9)

EPA: Ethyl acetoacetate (141-97-9)

안전

위험 및 안전 성명
위험 및 사전주의 사항 (GHS)

위험품 표기	Xi
위험 카페고리 넘버	36
안전지침서	26-24/25
유엔번호(UN No.)	UN 1993
WGK 독일	1
RTECS 번호	AK5250000
자연 발화 온도	580 °F
TSCA	Yes
위험 등급	3.2
포장분류	III
HS 번호	29183000
유해 물질 데이터	141-97-9(Hazardous Substances Data)
독성	LD50 orally in rats: 3.98 g/kg (Smyth)
기존화학 물질	KE-27567

그림문자(GHS):

신호 어:

Warning

유해·위험 문구:

암호	유해·위험 문구	위험 등급	범주	신호 어	P- 코드
H227	가연성 액체	인화성 액체	구분 4	경고	P210, P280, P370+P378, P403+P235,P501
H303	삼키면 유해할 수 있음	급성 독성 물질 - 경구	구분 5		P312
H319	눈에 심한 자극을 일으킴	심한 눈 손상 또는 자극성 물질	구분 2A	경고	P264, P280, P305+P351+P338,P337+P313P

예방조치문구:

P210	열·스파크·화염·고열로부터 멀리하시오 - 금연 하시오.
P264	취급 후에는 손을 철저히 씻으시오.
P264	취급 후에는 손을 철저히 씻으시오.
P280	보호장갑/보호의/보안경/안면보호구를 착용하시오.
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.
P403+P235	환기가 잘 되는 곳에 보관하고 저온으로 유지하시오.
P501	...에 내용물 / 용기를 폐기 하시오.

NFPA 704

	2
1		0

아세트초산에틸 MSDS

Acetoacetic ester

아세트초산에틸 C화학적 특성, 용도, 생산

물성

쾌활한 과일 냄새가 나는 무색 투명 액체. 그것은 에탄올, 에틸 에테르, 프로필렌 글리콜 및 에틸 아세테이트에 쉽게 용해되고 1:12로 물에 용해된다. 끓는 점 : 181 ° C, 융점 : -45 ° C (enol : -80 ° C, 케톤 : -39 ° C), 인화점 : 84.5 ° C.

용도

주로 의학, 염료, 살충제 등에 사용됩니다. 또한 식품 첨가물 및 향료 및 향수에 사용할 수 있습니다.

순도시험

(1) 비중 : 이 품목의 비중은 1.022～1.027이어야 한다.

(2) 굴절률 : 이 품목의 굴절률 은 1.418～1.421이어야 한다.

(3) 용상 : 이 품목 1mL를 30% 에탄올 3mL에 녹일 때, 그 액은 징명하여야 한다.

(4) 유리산 : 이 품목 15mL에 새로 끓여 식힌 물 15mL를 넣어 2분간 흔들어 섞어 정치한 후 그 물층 10mL를 취해 페놀프탈레인시액 2방울 및 0.1N 수산화칼륨용액 3.4mL를 넣을 때, 홍색을 나타낸다.

확인시험

(1) 이 품목 1mL를 에탄올 3mL에 녹여 염화제이철시액 1방울을 넣으면 적자색을 나타낸다.

(2) 이 품목 0.5mL에 10% 알콜성수산화칼륨시액 5mL를 넣어 온탕 중에서 5분간 가열하고 식힌 다음 이에 물 10mL 및 묽은염산 2mL를 넣은 액은 확인시험법 중 초산염 (다)의 반응을 나타낸다.

정량법

이 품목 약 0.8g을 정밀히 달아 향료시험법 중 알데히드류 및 케톤류함량측정법의 히드록실아민법 중 제2법에 따라 시험한다. 다만, 방치시간은 15분간으로 한다.

0.5N 염산 1mL ＝ 65.07mg C₆H₁₀O₃

개요

The organic compound ethyl acetoacetate (EAA) is the ethyl ester of acetoacetic acid. It is mainly used as a chemical intermediate in the production of a wide variety of compounds, such as amino acids, analgesics, antibiotics, antimalarial agents, antipyrine and amino pyrine, and vitamin B₁; as well as the manufacture of dyes, inks, lacquers, perfumes, plastics, and yellow paint pigments. Alone, it is used as a flavoring for food.

화학적 성질

Ethyl 3-Oxobutanoate is a colorless liquid with a fruity, ethereal, sweet odor reminiscent of green apples. It is used to create fresh, fruity top notes in feminine fine fragrances. Ethyl acetoacetate occurs in flavors of natural materials such as coffee, strawberries, and yellow passion fruits.

출처

Naturally occurring in strawberry, coffee, sherry, passion fruit juice (yellow), babaco fruit (Carica pentagona Heilborn) and bread.

용도

Ethyl acetoacetate (EAA) is used as starting material for the syntheses of alpha-substituted acetoacetic esters and cyclic compounds, e.g. pyrazole, pyrimidine and coumarin derivatives as well as intermediate for vitamins and pharmaceuticals. Product Data Sheet

정의

This compound is a tautomer at room temperature consisting of about 93% keto form and 7% enol form.

제조 방법

Ethyl acetoacetate is produced industrially by treatment of diketene with ethanol.
The preparation of ethyl acetoacetate is a classic laboratory procedure . It is prepared via the Claisen condensation of ethyl acetate. Two moles of ethyl acetate condense to form one mole each of ethyl acetoacetate and ethanol.

생산 방법

Ethyl acetoacetate is manufactured through a reaction of high-purity ethyl acetate with sodium, followed by neutralization with sulfuric acid.

일반 설명

A colorless liquid with a fruity odor. Flash point 185°F. Boiling point 365°F. May cause adverse health effects if ingested or inhaled. May irritate to skin, eyes and mucous membranes. Used in organic synthesis and in lacquers and paints.

공기와 물의 반응

Flammable.

반응 프로필

Ethyl acetoacetate, a beta-keto ester, is more reactive than many esters. Undergoes an exothermic cleavage reaction in the presence of concentrated base. Reacts with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides. Mixing with 2,2,2-tris(bromomethyl)ethanol and zinc led to an explosion [US Patent 3 578 619, Crotonaldehyde may rapidly polymerize with Ethyl acetoacetate (Soriano, D.S. et al. 1988. Journal of Chemical Education 65:637.).1971].

위험도

Toxic by ingestion and inhalation; irritant to skin and eyes.

건강위험

Liquid may cause mild irritation of eyes.

화학 반응

Ethyl acetoacetate is subject to Keto - enol tautomerism. Ethyl acetoacetate is often used in the acetoacetic ester synthesis similar to diethyl malonate in the malonic ester synthesis or the Knoevenagel condensation. The protons alpha to carbonyl groups are acidic, and the resulting carbanion can undergo nucleophilic substitution. A subsequent thermal decarboxylation is also possible.Similar to the behavior of acetylacetone, the enolate of ethyl acetoacetate can also serve as a bidentate ligand. For example, it forms purple coordination complexes with iron (III) salts :
Ethyl acetoacetate can also be reduced to ethyl 3-hydroxy butyrate.

Safety Profile

eye irritant. Combustible liquid when exposed to heat or flame; can react with oxidzing materials. Explosive reaction when heated with Zn + tribromoneopentyl alcohol or 2,2,2 tris(bromomethy1)ethanol. To fight fire, use alcohol foam, CO2, dry chemical. When heated to decomposition it emits acrid smoke and irritating fumes. See also ESTERS.

Purification Methods

Shake the ester with small amounts of saturated aqueous NaHCO3 (until no further effervescence), then with water. Dry it with MgSO4 or CaCl2 and distil it under reduced pressure. [Beilstein 3 IV 1528.]

아세트초산에틸 준비 용품 및 원자재

원자재

아세틸 케텐 에틸알코올 나트륨 나트륨 에톡시드 Esterification solution Concentrated sulfuric acid 메탄

준비 용품

3-CHLORO-4-METHYL-7-HYDROXYCOUNMARIN Ethyl 2-hydroxy-4-methyl-5-pyrimidinecarboxylate BISPYRAZOLONE 4-CHLORO-2,6-DIMETHYL-NICOTINIC ACID ETHYL 2,4-DIMETHYLQUINOLINE-3-CARBOXYLATE Disperse Yellow H-4GL ETHYL 2-ACETYL-3-OXO-HEXANOATE 1-(6-CHLORO-2-HYDROXY-4-PHENYL-QUINOLIN-3-YL)-ETHANONE Ethyl 3-hydroxybutyrate 5-METHYL-1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID PHENOXYACETIC ACID 5,7-Dihydroxy-4-methylcoumarin 4-HYDROXY-2-METHYLQUINOLINE ETHYL 4-CHLORO-2,6-DIMETHYLPYRIDINE-3-CARBOXYLATE 7-(아세틸옥시)-4-메틸-2-벤조파이론 3-ETHOXYCARBONYL-5,6-DIHYDRO-2-METHYL-4H-PYRAN N-Phenylglycine potassium salt TIADINIL ETHYL 5-METHYL-1-PHENYL-1H-PYRAZOLE-4-CARBOXYLATE 1-Bromo-5-hexanone Pentoxifylline 6-TERT-BUTYL-4-METHYLCOUMARIN 쿠마린 4 ETHYL 2-(HYDROXYIMINO)-3-OXOBUTANOATE Cloricromene 2,4-DIMETHYLQUINOLINE-3-CARBOXYLIC ACID Acetoacetic Acid Ethyl 3-anilinobut-2-enoate (5-METHYL-1-PHENYL-1H-PYRAZOL-4-YL)METHANOL 크리신 4,7-DIMETHYLCOUMARIN 4- 에틸 -3- 메틸 -1,2- 디하이드로피롤 -5- 온 4-Chloro-6-methyl-2-(methylthio)pyrimidine 2-Amino-6-methyl-4-pyrimidinol 4-Methylcumarin 1,3-Dimethyl-5-hydroxypyrazole 6-Methyl-2-(methylthio)pyrimidin-4-ol 7,8-DIHYDROXY-4-METHYLCOUMARIN 3-METHYL-5-PHENYL-4-ISOXAZOLECARBOXYLIC ACID ethyl 2-[2-(diethylamino)ethyl]acetoacetate

아세트초산에틸 공급 업체

글로벌( 862)공급 업체

공급자	전화	이메일	국가	제품 수	이점
Henan Tianfu Chemical Co.,Ltd.	+86-0371-55170693 +86-19937530512	info@tianfuchem.com	China	21691	55
Changzhou AniKare Pharmatech Co., Ltd.	+86-0519-8359-8696 +8618018249389	sales@anikare.com	China	8382	58
Hebei Mojin Biotechnology Co., Ltd	+8613288715578	sales@hbmojin.com	China	12456	58
Suzhou Sanyi Polymer Chemical Technology Co., Ltd.	+8615571922873	15571922873@163.com	China	106	58
Henan Fengda Chemical Co., Ltd	+86-371-86557731 +86-13613820652	info@fdachem.com	China	7845	58
Shaanxi Franta Biotechnology Co., Ltd	+86-13082019107 +86-13082019107	admin@flanderff.com	China	229	58
CONTIDE BIOTECH CO.,LTD	+85253358525	xena@healthtide-api.com	China	499	58
Ouhuang Engineering Materials (Hubei) Co., Ltd	+8617702722807	admin@hbouhuang.com	China	2259	58
Capot Chemical Co.,Ltd.	571-85586718 +8613336195806	sales@capotchem.com	China	29797	60
Shanghai Daken Advanced Materials Co.,Ltd	+86-371-66670886	info@dakenam.com	China	15928	58