기본 정보
- CAS
763-69-9- 표준 SMILES
CCOCCC(=O)OCC- InChIKey
BHXIWUJLHYHGSJ-UHFFFAOYSA-N- 분자식
- C7H14O3
- 평균 분자량
- 146.18 g/mol
- 단동위원소 질량
- 146.09429431
개요
Ethyl-3-ethoxypropionate is a water-white liquid with an ester-like odor. Floats on water. (USCG, 1999)
이름 및 식별자
- 우선 이름
- Ethyl 3-ethoxypropionate
- IUPAC
- ethyl 3-ethoxypropanoate
- 현지명
- 에폭시프로피온산에틸에스테르
- 영어명
- Ethyl 3-ethoxypropionate
- 분자식
- C7H14O3
- 분자량
- 146.18
이름 및 동의어
Ethyl 3-ethoxypropionate763-69-9Propanoic acid, 3-ethoxy-, ethyl esterEthyl-3-ethoxypropionateEthyl beta-ethoxypropionateDTXSID0027309EC38RSJ79JNSC-8870DTXCID907309RefChem:1386923-EEP212-112-9
이름 더 보기
에틸-3-에톡시프로피오네이트에틸베타-에톡시프로피온산에폭시프로피온산에틸에스테르에틸베타-에톡시프로피온산(ETHYLBETA-ETHOXYPROPIONATE)3-에톡시-프로피온산, 에틸 에스터에톡시프로피온산, 에틸 에스터에틸 3-에톡시프로피온산에틸 베타-에톡시프로피온산에틸-3-에톡시프로파노에이트EEPEEP-3eep solventEktapro EEPcas no 763-69-9ethoxypropionate3-ethoxypropionate
Ethyl 3-ethoxypropanoate3-Ethoxypropionic acid ethyl esterEthyl 3-EthyoxypropionateEthoxypropionic acid, ethyl esterNSC 8870MFCD00051356PROPIONIC ACID, 3-ETHOXY-, ETHYL ESTEREthylester kyseliny 3-ethoxypropionove
데이터베이스 식별자
- CAS
763-69-9- PubChem CID
- 12989
- DTXSID
DTXSID0027309- ChEMBL
CHEMBL3561286- UNII
- EC38RSJ79J
- EC Number
- 212-112-9
- Nikkaji
- J25.585H
물성
구조 계산 물성
- XLogP
- 0.6
- 극성 표면적
- 35.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 90.9
실험 및 물리화학적 성질
SolventsSolvents -> Esters (<C12)
SpringerMaterials PropertiesBoiling point
Density
0.95 (USCG, 1999) - Less dense than water; will float
0.95
0.9496 @25 °C
Flash Point
138 °F (USCG, 1999)
138 °F
138 °F
Boiling Point
338 °F at 760 mmHg (USCG, 1999)
Boiling point range = 165-172 °C
338 °F
170.1 °C @760 [mm Hg]
Melting Point
-148 °F (USCG, 1999)
-148 °F
-100 °C
Vapor Pressure0.9 [mmHg]
Physical Description
Ethyl-3-ethoxypropionate is a water-white liquid with an ester-like odor. Floats on water. (USCG, 1999)
Liquid; CBI
Water-white liquid with an ester-like odor; [CAMEO]
Water-white liquid with an ester-like odor.
물리화학적 성질
- 녹는점
- -75 °C · -75 °C
- 끓는 점
- 166 °C · 166 °C (lit.)
- 밀도
- 0.95 g/mL · 0.95 g/mL at 25 °C (lit.)
- 증기 밀도
- 5.03 · 5.03 (vs air)
- 증기압
- 2 hPa · 2.0 hPa (25 °C)
- 굴절률
- 20 · n20/D 1.405(lit.)
- 인화점
- 126 °F · 126 °F
- 저장 조건
- 30 °C · Store below +30°C.
- 용해도
- 54.1 g/L · 물: 용해성54.1 g/L @ 20°C
- 물리적 상태
- 액체
- 색상
- 투명한
- 수용성
- 1.6 g/100mL · 1.6g/100mL(20℃)
- Henry's Law Constant
- 1.5 · 1.5×10-2 mol/(m3Pa) at 25℃, Yaws (1999)
- InChI
- 1S/C7H14O3/c1-3-9-6-5-7(8)10-4-2/h3-6H2,1-2H3
- InChIKey
- BHXIWUJLHYHGSJ-UHFFFAOYSA-N
- SMILES
- CCOCCC(=O)OCC
- LogP
- 1.47 at · 1.47 at 20℃
- NIST
- 3 · Propionic acid, 3-ethoxy-, ethyl ester(763-69-9)
- EPA
- 3 · Ethyl 3-ethoxypropionate (763-69-9)
화학적 성질
Ethyl 3-ethoxypropionate is a flammable, colorless liquid.
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 15.2% (234 of 1538) of reports.
Warning
H226 (83.4%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P273, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1538 reports by companies from 18 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
유해성 정보
Regulatory Information
Chemical: Propanoic acid, 3-ethoxy-, ethyl ester
Propanoic acid, 3-ethoxy-, ethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Propanoic acid, 3-ethoxy-, ethyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 22-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/1990
Propanoic acid, 3-ethoxy-, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Propanoic acid, 3-ethoxy-, ethyl ester: Human health tier I assessment
DOT LabelCombustible Liquid
Fire HazardsExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Health HazardsLiquid or mist may irritate th eyes and skin. May cause headache, nausea and vomiting, central nervous system depression with dizziness, drowsiness and unconsciousness. (USCG, 1999)
Hazards Summary
It appears to be similar to other esters with low toxicity. It is a mild mucous membrane irritant. Animal studies show no adverse effects below 250 ppm. Its unpleasant odor limits use as a substitute for glycol ethers in the electronics industry. [Sullivan, p. 450-1] A skin and eye irritant; Inhalation of high concentrations can cause CNS depression; [CAMEO]
Reactive GroupEsters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters
EPA Safer ChemicalChemical: Ethyl-3-ethoxy propionate
Reactivity Profile
ETHYL-3-ETHOXYPROPIONATE is an ester. Esters react 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. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides.
Air and Water ReactionsNo rapid reaction with air. No rapid reaction with water.
Peroxide Forming Chemical
Ethyl 3-ethoxypropionate
D: Other compounds that may form peroxides
Kelly
http://datasheets.scbt.com/sc-279086.pdf
Hazard Classes and Categories
Flam. Liq. 3 (83.4%)
Flammable liquids - Category 3
안전 및 보호
Fire FightingFire Extinguishing Agents Not to Be Used: Water may be ineffective.
First AidINHALATION: Call for medical aid. Remove the victim to fresh air. Give artificial respiration, if not breathing. Give oxygen if breathing difficult.
Nonfire Spill ResponseExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Isolation and EvacuationExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Protective Action Criteria (PAC)
15 [mg/m3]
170 [mg/m3]
990 [mg/m3]
Personal Protective Equipment (PPE)Rubber boots, rubber gloves, rubber apron, and self-contained breathing apparatus or a supplied air respirator. (USCG, 1999)
독성 정보
Adverse EffectsNeurotoxin - Acute solvent syndrome
안전 데이터
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- UF3325000
- ridadr
- UN 3272 3/PG 3
- 독성
- LD50 orally in Rabbit: 3200 mg/kg
- HS 번호
- 29189900
- risk_code
- 10-19-50-36-66
- hazard_code
- N,Xi
- safety_code
- 25-16
- 포장분류
- III
- 위험 등급
- 3
- 기존화학 물질
- KE-13479
- 자연 발화 온도
- 377 °C
- Hazard Classifications
- Flam. Liq. 3
- 스토리지 클래스
- 3 - Flammable liquids
화학 및 산업
용도 및 제조
UsesSemiconductor Manufacturing [Category: Industry]
U.S. Production2023: 10,000,000 - <50,000,000 lb
Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesNot Known or Reasonably Ascertainable
Household ProductsInformation on 151 consumer products that contain Ethyl 3-ethoxy propionate in the following categories is provided:
Use Classification
EPA Safer Chemical Functional Use Classes -> Solvents
Safer Chemical Classes -> Green half-circle - The chemical is expected to be of low concern
General Manufacturing Information
Printing Ink Manufacturing
Propanoic acid, 3-ethoxy-, ethyl ester: ACTIVE
응용 분야
용도Ethyl 3-ethoxypropionate is used in the synthesis of phenols and selective inhibitors of cyclin-dependant kinase 4/6 for novel cancer therapies. It is also used as a solvent to prepare polymers. Further, it is used in paints and coatings.
일반 설명Water-white liquid with an ester-like odor. Floats on water.
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