기본 정보
- CAS
1797-74-6- 표준 SMILES
C=CCOC(=O)Cc1ccccc1- InChIKey
ZCDYAMJXVAUTIM-UHFFFAOYSA-N- 분자식
- C11H12O2
- 평균 분자량
- 176.21 g/mol
- 단동위원소 질량
- 176.08372962
개요
2-Propenyl phenylacetate is a member of benzenes.
이름 및 식별자
- 우선 이름
- Allyl phenylacetate
- IUPAC
- prop-2-enyl 2-phenylacetate
- 현지명
- 알릴페닐아세테이트
- 영어명
- Allyl phenylacetate
- 분자식
- C11H12O2
- 분자량
- 176.21
이름 및 동의어
Allyl phenylacetate1797-74-62-Propenyl phenylacetatePhenylacetic acid allyl esterprop-2-enyl 2-phenylacetateBenzeneacetic acid, 2-propen-1-yl esterBenzeneacetic acid, 2-propenyl esterAllyl alpha-toluate2-Propenyl benzeneacetateACETIC ACID, PHENYL-, ALLYL ESTERFEMA No. 2039NSC 6574
이름 더 보기
알릴페닐아세테이트알릴페닐아세테이트2-프로페닐벤젠아세테이트FEMA 2039Allyl 2-phenylacetateAllylPhenylacetate>2-propenylphenylacetateALLYL PHENYLACETATE 99+%phenyl-aceticaciallylesterAllyl phenylacetate(kosher)
EINECS 217-281-23D2NBC7K7QBRN 1867491AI3-22225prop-2-en-1-yl 2-phenylacetateNSC-6574ALLYL .ALPHA.-TOLUATEDTXSID8061977
데이터베이스 식별자
- CAS
1797-74-6- PubChem CID
- 15717
- DTXSID
DTXSID8061977- ChEBI
물성
구조 계산 물성
- XLogP
- 2.4
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 169
실험 및 물리화학적 성질
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.033-1.041
Flavoring AgentsEU Flavoring substances
Solubility(in ethanol)
Boiling Point
239.00 to 240.00 °C. @ 760.00 mm Hg
89-93 °C (3mm Hg)
Refractive Index1.5122 (13.5 °C)
Physical DescriptionColourless, slightly viscous liquid with a honey-like odour
물리화학적 성질
- 끓는 점
- 239 · 239-240 °C(lit.)
- 밀도
- 1.037 g/mL · 1.037 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.508(lit.)
- FEMA
- 2039 · 2039 | ALLYL PHENYLACETATE
- 인화점
- 230 °F · >230 °F
- 물리적 상태
- 투명한 액체
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P262, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P316, P321, P330, P332+P317, P333+P317, P337+P317, P361+P364, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1574 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H301: Toxic if swallowed [Danger Acute toxicity, oral]
유해성 정보
Regulatory Information
Chemical: Benzeneacetic acid, 2-propenyl ester
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Benzeneacetic acid, 2-propenyl ester: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Aliphatic allyl esters: Human health tier II assessment
Hazard Classes and Categories
Acute Tox. 4 (100%)
Acute toxicity (ingestion) - category 3
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- AJ2450000
- 독성
- The acute oral LD50 value in rats was reported as 0.65 g/kg and the acute dermal LD50 value in rabbits as >0.31 g/kg
- HS 번호
- 29163990
- risk_code
- 20/21/22-36/37/38
- hazard_code
- Xn
화학 및 산업
약리 정보
Cellular LocationsMembrane
용도 및 제조
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationBenzeneacetic acid, 2-propen-1-yl ester: ACTIVE
응용 분야
출처Has apparently not been reported to occur in nature
용도Allyl Phenylacetate is a synthetic flavoring agent that is a stable, colorless to light yellow liquid with a fruity odor of banana and honey. it should be stored in glass or tin containers. it is used in flavors for honey and has application in candy and baked goods at 10–15 ppm. Allyl Phenylacetate is used in flavor compositions as a modifier with other Phenylacetates in imitation Pineapple, Honey and various fruit or Rum flavors. Concentration up to 40 ppm in baked goods (finished prod.). Its honey-like aroma is also utilized in tobacco flavoring.
제조 방법
By direct esterification in benzene solution
상·하류 제품 정보
상류 원료
공급사74 곳
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