기본 정보
- 표준 SMILES
CCOCC(=O)O- InChIKey
YZGQDNOIGFBYKF-UHFFFAOYSA-N- 분자식
- C4H8O3
- 평균 분자량
- 104.1 g/mol
- 단동위원소 질량
- 104.04734412
개요
Ethoxyacetic acid is a liquid. (NTP, 1992)
이름 및 식별자
- 우선 이름
- Ethoxyacetic acid
- IUPAC
- 2-ethoxyacetic acid
- 현지명
- 에톡시아세트산
- 영어명
- Ethoxyacetic acid
- 분자식
- C4H8O3
- 분자량
- 104.1
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
627-03-2- PubChem CID
- 12301
- DTXSID
DTXSID7031294- ChEMBL
CHEMBL1159929- ChEBI
CHEBI:173365- UNII
- 467VW095BX
- EC Number
- 210-978-2
- Nikkaji
- J1.694B
물성
구조 계산 물성
- XLogP
- 0
- 극성 표면적
- 46.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 7
- 형식 전하
- 0
- 복잡도
- 60
실험 및 물리화학적 성질
Physical Description
Ethoxyacetic acid is a liquid. (NTP, 1992)
Liquid; [CAMEO]
물리화학적 성질
- 끓는 점
- 97 · 97-100 °C/11 mmHg (lit.)
- 밀도
- 1.102 g/mL · 1.102 g/mL at 25 °C (lit.)
- 굴절률
- 20 · n20/D 1.419(lit.)
- 인화점
- 208 °F · 208 °F
- 저장 조건
- 2 · 2-8°C
- 용해도
- 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 액체
- 산도 계수 (pKa)
- 3.65 · 3.65(at 18℃)
- 색상
- 무색투명~연황색
- 수용성
- 녹는
- BRN
- 1743037 · 1743037
- 안정성
- 안정적인. 타기 쉬운. 강한 산화제와 호환되지 않습니다.
- InChI
- 1S/C4H8O3/c1-2-7-3-4(5)6/h2-3H2,1H3,(H,5,6)
- InChIKey
- YZGQDNOIGFBYKF-UHFFFAOYSA-N
- SMILES
- CCOCC(O)=O
- NIST
- Acetic acid, ethoxy-(627-03-2)
- EPA
- Ethoxyacetic acid (627-03-2)
화학적 성질
liquid
안전 및 규제
GHS 분류
GHS Classification
Danger
H314 (65.8%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 73 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Acetic acid, ethoxy-
Ethoxyacetic acid: Does not have an individual approval but may be used under an appropriate group standard
Reactivity Profile
An ether and organic acid. Carboxylic acids donate hydrogen ions if a base is present to accept them. They react in this way with all bases, both organic (for example, the amines) and inorganic. Their reactions with bases, called "neutralizations", are accompanied by the evolution of substantial amounts of heat. Neutralization between an acid and a base produces water plus a salt. Carboxylic acids with six or fewer carbon atoms are freely or moderately soluble in water; those with more than six carbons are slightly soluble in water. Soluble carboxylic acid dissociate to an extent in water to yield hydrogen ions. The pH of solutions of carboxylic acids is therefore less than 7.0. Many insoluble carboxylic acids react rapidly with aqueous solutions containing a chemical base and dissolve as the neutralization generates a soluble salt. Carboxylic acids in aqueous solution and liquid or molten carboxylic acids can react with active metals to form gaseous hydrogen and a metal salt. Carboxylic acids, like other acids, react with cyanide salts to generate gaseous hydrogen cyanide. Flammable and/or toxic gases and heat are generated by the reaction of carboxylic acids with diazo compounds, dithiocarbamates, isocyanates, mercaptans, nitrides, and sulfides. Carboxylic acids, especially in aqueous solution, also react with sulfites, nitrites, thiosulfates (to give H2S and SO3), dithionites (SO2), to generate flammable and/or toxic gases and heat. Their reaction with carbonates and bicarbonates generates a harmless gas (carbon dioxide) but still heat. Like other organic compounds, carboxylic acids can be oxidized by strong oxidizing agents and reduced by strong reducing agents. These reactions generate heat.
안전 및 보호
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: If you spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION. Then, use absorbent paper to pick up all liquid spill material. Seal the absorbent paper, as well as any of your clothing which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Wash any surfaces you may have contaminated with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
독성 정보
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- AH3600000
- ridadr
- UN 3265 8/PG 2
- HS 번호
- 29189900
- risk_code
- 34
- hazard_code
- C,Xi
- safety_code
- 26-36/37/39-45
- 포장분류
- III
- 위험 등급
- 8
- 기존화학 물질
- KE-13336
- 위험 참고 사항
- Irritant
- Hazard Classifications
- Eye Dam. 1Skin Corr. 1B
- 스토리지 클래스
- 8A - Combustible corrosive hazardous materials
화학 및 산업
약리 정보
용도 및 제조
응용 분야
용도Ethoxyacetic acid is used to evaluate toxicity in embryonic stem cell test in mice. It finds application as a biomarker of exposure to alkyl-substituted ethylene glycols and other aliphatic ethers. It is used as a precursor to prepare ethoxy-acetic acid ethoxymethyl ester.
일반 설명Liquid.
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