에폭시프로피온산에틸에스테르

에틸-3-에톡시프로피오네이트 · 에틸베타-에톡시프로피온산 · 에폭시프로피온산에틸에스테르 · 에틸베타-에톡시프로피온산(ETHYLBETA-ETHOXYPROPIONATE) · 3-에톡시-프로피온산, 에틸 에스터 · 에톡시프로피온산, 에틸 에스터 · 에틸 3-에톡시프로피온산 · 에틸 베타-에톡시프로피온산

https://huagongshe.com/ko/chemical/12989

식별자 및 물리적 특성

CAS No.	763-69-9
분자식	C7H14O3
평균 분자량	146.18 g/mol
단동위원소 질량	146.09429431 g/mol
SMILES	CCOCCC(=O)OCC
InChIKey	BHXIWUJLHYHGSJ-UHFFFAOYSA-N
PubChem CID	12989
ChEMBL	CHEMBL3561286
EC No.	212-112-9
DTXSID	DTXSID0027309
현지명	에폭시프로피온산에틸에스테르

화학 및 물리적 성질

XLogP	0.6
극성 표면적	35.5
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
Solvents	Solvents -> Esters (<C12)
SpringerMaterials Properties	Boiling point
밀도	0.95 (USCG, 1999) - Less dense than waterwill float0.9496 @25 °C0.95 g/mL at 25 °C (lit.)
인화점	138 °F (USCG, 1999)126 °F
끓는 점	338 °F at 760 mmHg (USCG, 1999)Boiling point range = 165-172 °C170.1 °C @760 [mm Hg]166 °C (lit.)
녹는점	-148 °F (USCG, 1999)-100 °C-75 °C
증기압	0.9 [mmHg]2.0 hPa (25 °C)
Physical Description	Ethyl-3-ethoxypropionate is a water-white liquid with an ester-like odor. Floats on water. (USCG, 1999)CBIWater-white liquid with an ester-like odor[CAMEO]Water-white liquid with an ester-like odor.
증기 밀도	5.03 (vs air)
굴절률	n20/D 1.405(lit.)
저장 조건	Store below +30°C.
용해도	물: 용해성54.1 g/L @ 20°C
물리적 상태	액체
색상	투명한
용해도	1.6g/100mL(20℃)
헨리 상수	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(분배 계수)	1.47 at 20℃
NIST	Propionic acid, 3-ethoxy-, ethyl ester(763-69-9)
EPA	Ethyl 3-ethoxypropionate (763-69-9)

화학적 성질

Ethyl 3-ethoxypropionate is a flammable, colorless liquid.

안전 및 규제

GHS 분류	This chemical does not meet GHS hazard criteria for 15.2% (234 of 1538) of reports.WarningH226 (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.
규제 정보	Chemical: Propanoic acid, 3-ethoxy-, ethyl esterPropanoic 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/1990Propanoic acid, 3-ethoxy-, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard
기타 안전 정보	IMAP assessments - Propanoic acid, 3-ethoxy-, ethyl ester: Human health tier I assessment
운송 라벨(DOT)	Combustible Liquid
화재 위험	Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
건강 유해성	Liquid 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)
유해성 요약	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 irritantInhalation of high concentrations can cause CNS depression[CAMEO]
반응성 그룹	Esters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters
EPA Safer Chemical	Chemical: Ethyl-3-ethoxy propionate

용도

Ethyl 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 설명

Water-white liquid with an ester-like odor. Floats on water.