Ethyl 3-phenylpropionate

Ethyl 3-phenylpropanoate · ETHYL DIHYDROCINNAMATE · FEMA 2455 · ETHYL HYDROCINNAMATE · 3-Ethyl phenylpropionate · 3- benzenepropanoate · ethylphenylpropionate · ethylphenyl propanoate

https://huagongshe.com/ko/chemical/16237

식별자 및 물리적 특성

CAS No.	2021-28-5
분자식	C11H14O2
평균 분자량	178.23 g/mol
단동위원소 질량	178.09937969 g/mol
SMILES	CCOC(=O)CCc1ccccc1
InChIKey	JAGZUIGGHGTFHO-UHFFFAOYSA-N
PubChem CID	16237
ChEMBL	CHEMBL2252095
ChEBI	CHEBI:173833
EC No.	217-966-6
DTXSID	DTXSID9047095

화학 및 물리적 성질

XLogP	2.7
극성 표면적	26.3
수소 결합 공여자 수	0
수소 결합 수용자 수	2
회전 가능 결합 수	5
무거운 원자 수	13
형식 전하	0
복잡도	148
SpringerMaterials Properties	Chemical shift
향료	Fragrance Ingredient (Ethyl 3-phenylpropionate) -> IFRA transparency List
LogP(분배 계수)	2.73
식품 첨가물	FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
밀도	1.009-1.0171.01 g/mL at 25 °C(lit.)
향미제	EU Flavoring substances
용해도	less than 1 mg/mL at 77 °F (NTP, 1992)0.22 mg/mL at 25 °Cinsoluble in watersoluble in oilsmiscible (in ethanol)클로로포름(수용성), DMSO(약간 용해됨), 메탄올
끓는 점	477 °F at 760 mmHg (NTP, 1992)247.00 to 249.00 °C. @ 760.00 mm Hg247-249 °C247-248 °C(lit.)
굴절률	1.492-1.497n20/D 1.494(lit.)
Physical Description	Ethyl phenylpropionate is a clear colorless liquid. (NTP, 1992)Colourless, somewhat oily liquid, sweet, fruity, honey-like odour
녹는점	122-124 °C
FEMA	2455 \| ETHYL 3-PHENYLPROPIONATE
인화점	226 °F
저장 조건	2-8°C
물리적 상태	기름
색상	무색
비중	1.013
냄새	100.00%에서. 히아신스 로즈 허니 프루티 럼
향취 유형	꽃향기
생물학적 소스	synthetic
용해도	25 ºC에서 <0.1g/100mL
JECFA Number	644
BRN	1910432
주요 응용	향료 및 향
InChI	1S/C11H14O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChIKey	JAGZUIGGHGTFHO-UHFFFAOYSA-N
SMILES	CCOC(=O)CCc1ccccc1
LogP(분배 계수)	2.79
NIST	Benzenepropanoic acid, ethyl ester(2021-28-5)
EPA	Ethyl 3-phenylpropionate (2021-28-5)

화학적 성질

Ethyl 3-phenylpropionate has an ethereal, rum, fruity, floral odor.

안전 및 규제

GHS 분류	This chemical does not meet GHS hazard criteria for 98.6% (146 of 148) of all reports.Not ClassifiedAggregated GHS information provided per 148 reports by companies from 3 notifications to the ECHA C&L Inventory.
규제 정보	Chemical: Benzenepropanoic acid, ethyl esterCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Benzenepropanoic acid, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard
화재 위험	The flash point of this chemical has not been determined. but it is probably combustible. (NTP, 1992)
반응성 그룹	Esters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters
Reactivity Profile	ETHYL PHENYLPROPIONATE 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 Reactions	Insoluble in water.
Hazard Classes and Categories	Not Classified
소화	Fires involving this material can be controlled with a dry chemical, carbon dioxide, foam or Halon extinguisher. (NTP, 1992)
응급 처치	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.
비화재 누출 대응	SMALL SPILLS AND LEAKAGE: If you spill this chemical, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with alcohol followed by washing with a strong 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.

용도

출처

Reported found in rum, passion fruit, plum brandy, caja fruit (Spondias lutea L.) and checkur (Alpinia sessilis).

용도

Ethyl 3-phenylpropionate is used as an active pharmaceutical ingredient intermediate. It is also used in the synthesis of pyrimidine based inhibitors of cyclin-dependant kinases.

일반 설명

Clear colorless liquid.

제조 및 합성 방법

제조 방법

By hydrogenation of the corresponding ethyl cinnamate in the presence of nickel in alcohol solution.