기본 정보
- CAS
7549-33-9- 표준 SMILES
CCC(=O)OCc1ccc(OC)cc1- InChIKey
YWIJRJQYADFRTL-UHFFFAOYSA-N- 분자식
- C11H14O3
- 평균 분자량
- 194.23 g/mol
- 단동위원소 질량
- 194.0942943
개요
4-Methoxybenzyl propanoate is a carboxylic ester. It is functionally related to a benzyl alcohol.
이름 및 식별자
- 우선 이름
- Anisyl propionate
- IUPAC
- (4-methoxyphenyl)methyl propanoate
- 현지명
- 아니실프로피오네이트
- 영어명
- ANISYL PROPIONATE
- 분자식
- C11H14O3
- 분자량
- 194.23
이름 및 동의어
ANISYL PROPIONATE7549-33-9p-Methoxybenzyl propionateBenzenemethanol, 4-methoxy-, propanoate4-Methoxybenzenemethyl propanoate4-Methoxybenzenemethanol propanoateFEMA No. 2102DTXSID8047713IBJ5CR95MKNSC-46113DTXCID7027706RefChem:558145
이름 더 보기
아니실프로피오네이트FEMA 2102ANISYLPROPIONATpentaanisylpropionatePropionate ester fennelANISYL PROPIONATE 98+%p-Methoxybenzylpropionatp-methoxybenzylpropionate4-METHYLBENZYL PROPIONATE
231-433-5(4-methoxyphenyl)methyl propanoate4-Methoxybenzyl propionateBenzyl alcohol, P-methoxy-, propionate4-Methoxybenzyl propanoatePropionic acid, p-methoxybenzyl esterBenzenemethanol, 4-methoxy-, 1-propanoatepara-anisyl propionate
데이터베이스 식별자
- CAS
7549-33-9- PubChem CID
- 61417
- DTXSID
DTXSID8047713- ChEMBL
CHEMBL3188412
물성
구조 계산 물성
- XLogP
- 2.7
- 극성 표면적
- 35.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 171
실험 및 물리화학적 성질
FragrancesFragrance Ingredient (Anisyl propionate) -> IFRA transparency List
Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.070-1.086
Flavoring AgentsEU Flavoring substances
Solubility
insoluble in water, glycerol, propylene glycol; soluble in organic solvents, oils
miscible at room temperature (in ethanol)
Boiling Point
277.00 °C. @ 760.00 mm Hg
100-103 °C (0.5 mm Hg)
Refractive Index1.505-1.510
Physical Descriptioncolourless to slightly yellow liquid with a sweet, fruity, floral, vanilla-like odour
물리화학적 성질
- 끓는 점
- 277 °C · 277 °C(lit.)
- 밀도
- 1.07 g/mL · 1.07 g/mL at 25 °C(lit.)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 92% (126 of 137) of all reports.
Not Classified
Aggregated GHS information provided per 137 reports by companies from 2 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: Benzenemethanol, 4-methoxy-, propanoate
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Benzenemethanol, 4-methoxy-, propanoate: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Benzenemethanol, 4-methoxy-, propanoate: Environment tier I assessment
Hazard Classes and CategoriesNot Classified
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- DA4934015
- 독성
- The acute oral LD50 value in rats was reported as 3.33 g/kg (Wohl, 1974). The acute dermal LD50 value in rabbits was reported as > 5 g/kg (Wohl, 1974).
- HS 번호
- 2915503000
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
약리 정보
Cellular LocationsMembrane
용도 및 제조
Use Classification
Fragrance Ingredients
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationBenzenemethanol, 4-methoxy-, 1-propanoate: ACTIVE
응용 분야
출처Reported found in fruits.
용도Anisyl Propionate is a synthetic flavoring agent this is a stable, col- orless liquid with a heliotrope odor. it should be stored in glass or tin containers. it is used in small concentrations to intensify vanilla, plum, and quince flavor for applications in beverages, baked goods, and candy at 6–20 ppm.
제조 방법
By esterification of anisic alcohol with propionic anhydride
공급사28 곳
南京凯美西化工有限公司02558748998 18951874644 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
淮安嘉目生物科技有限公司0517-83187139 18205232085 · [email protected]
武汉易泰科技有限公司上海分公司
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