기본 정보
- CAS
6290-37-5- 표준 SMILES
CCCCCC(=O)OCCc1ccccc1- InChIKey
BUYNWUMUDHPPDS-UHFFFAOYSA-N- 분자식
- C14H20O2
- 평균 분자량
- 220.31 g/mol
- 단동위원소 질량
- 220.14632988
개요
phenethyl hexanoate has been reported in Nicotiana tabacum with data available.
이름 및 식별자
- 우선 이름
- Phenethyl hexanoate
- IUPAC
- 2-phenylethyl hexanoate
- 영어명
- FEMA 3221
- 분자식
- C14H20O2
- 분자량
- 220.31
이름 및 동의어
2-Phenylethyl hexanoatePHENETHYL HEXANOATE6290-37-52-Phenethyl hexanoateHexanoic acid, 2-phenylethyl esterPhenylethyl caproateHexanoic acid, phenethyl ester2-Phenylethyl caproateBenzylcarbinyl caproatePhenylethyl hexanoateBenzylcarbinyl hexanoateFEMA No. 3221
이름 더 보기
FEMA 3221PHENETHYL CAPROATEPHENYL ETHYL HEXANOATE2-PhenylethylhexanoatePhenylethyl n-hexanoate
DTXSID5047584NSC 6651X7R57M68KRNSC-6651EINECS 228-538-3AI3-22073DTXCID3027584PHENETHYL HEXANOATE [FHFI]
데이터베이스 식별자
- CAS
6290-37-5- PubChem CID
- 61384
- DTXSID
DTXSID5047584- ChEMBL
CHEMBL3185758- UNII
- X7R57M68KR
- EC Number
- 228-538-3
- Nikkaji
- J155.068C
물성
구조 계산 물성
- XLogP
- 4.2
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 183
실험 및 물리화학적 성질
FragrancesFragrance Ingredient (Phenethyl hexanoate) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.969-0.980
Flavoring AgentsEU Flavoring substances
Solubility
Insoluble in water; soluble in oils
Miscible at room temperature (in ethanol)
Boiling Point263 °C
Refractive Index1.480-1.488
Physical DescriptionColourless oily liquid; fruity-green, rosy, fresh pineapple-like, banana-like odour
물리화학적 성질
- 끓는 점
- 144 · 144-146 °C(Press: 2 Torr)
- 밀도
- 0.971 g/mL · 0.971 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.486(lit.)
- FEMA
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 100% (91 of 91) of all reports.
Not Classified
Aggregated GHS information provided per 91 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: Hexanoic acid, 2-phenylethyl ester
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Hexanoic acid, 2-phenylethyl ester: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Hexanoic acid, 2-phenylethyl ester: Human health tier I assessment
Hazard Classes and CategoriesNot Classified
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
약리 정보
Cellular LocationsMembrane
용도 및 제조
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationHexanoic acid, 2-phenylethyl ester: ACTIVE
응용 분야
출처Reported found in Burley tobacco, yellow passion fruit, blue cheese, beer, cognac, malt whiskey, cider, sherry, white wine, red wine, botrytised wine, rum, apple brandy, grape brandy, lamb’s lettuce and sea buckthorn.
용도Phenethyl hexanoate is used in flavor compositions as a modifier in Banana, Pineapple, Strawberry, Peach, and other imitation flavors. The concentration is usually about 2 to 8 ppm in the finished product, but the title ester is not included in the American G. R.A.S. list and it can therefore not be used in food flavors in the U.S.A.
공급사36 곳
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
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