기본 정보
- CAS
102-20-5- 표준 SMILES
O=C(Cc1ccccc1)OCCc1ccccc1- InChIKey
ZOZIRNMDEZKZHM-UHFFFAOYSA-N- 분자식
- C16H16O2
- 평균 분자량
- 240.3 g/mol
- 단동위원소 질량
- 240.11502975
개요
Phenethyl phenylacetate is a member of benzenes.
이름 및 식별자
- 우선 이름
- Phenethyl phenylacetate
- IUPAC
- 2-phenylethyl 2-phenylacetate
- 영어명
- Phenethyl phenylacetate
- 분자식
- C16H16O2
- 분자량
- 240.3
이름 및 동의어
Phenethyl phenylacetate2-Phenylethyl phenylacetateBenzeneacetic acid, 2-phenylethyl ester2-phenylethyl 2-phenylacetatePhenylethyl phenylacetatePhenylacetic acid, phenethyl esterACETIC ACID, PHENYL-, PHENETHYL ESTERBenzylcarbinyl alpha-toluatePhenethyl alpha-toluateBenzylcarbinyl phenylacetate2-Phenylethyl alpha-toluate2-Phenylethyl benzeneacetate
이름 더 보기
PHENYL ETHYL PHENYL ACETATEphenethylFEMA 2866Phenethyl 2-phenylacetatePhenyl Ethyl PhenylBenzylcarbinyl a-toluateAI3-00817AI3 00817 AI300817Phenethylphenylacetatphenethylalpha-toluate
FEMA No. 2866NSC 6676AI3-20106.beta.-Phenylethyl phenylacetateDTXSID0044494Phenethyl .alpha.-toluateEINECS 203-013-1UNII-5J5OJ7GH15
데이터베이스 식별자
- CAS
102-20-5- PubChem CID
물성
구조 계산 물성
- XLogP
- 3.9
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 18
- 형식 전하
- 0
- 복잡도
- 237
실험 및 물리화학적 성질
FragrancesFragrance Ingredient (Phenethyl phenylacetate) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.079-1.082
Flavoring AgentsEU Flavoring substances
Solubility
Insoluble in water; soluble in oils
1 mL in 4 mL 90% ethanol (in ethanol)
Boiling Point
324.00 to 325.00 °C. @ 760.00 mm Hg
325 °C
Melting Point28 °C
Refractive Index1.545-1.551
Physical Description
Liquid
Solid
Colourless to slighty yellow liquid or crystalline mass; rose-hyacinth type odour
물리화학적 성질
- 녹는점
- 28 °C · 28 °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 1.1% (21 of 1880) of reports.
H411 (96.8%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1880 reports by companies from 7 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: Benzeneacetic acid, 2-phenylethyl ester
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Benzeneacetic acid, 2-phenylethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzeneacetic acid, 2-phenylethyl 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: 12-01-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/12827
Phenylethyl phenylacetate: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Benzeneacetic acid, 2-phenylethyl ester: Human health tier I assessment
Hazard Classes and CategoriesAquatic Chronic 2 (96.8%)
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- AJ3255000
- 독성
- LD50 orl-rat: 15 g/kg FCTXAV 2,327,64
- HS 번호
- 29163990
- risk_code
- 36/38
화학 및 산업
약리 정보
Cellular LocationsMembrane
용도 및 제조
U.S. Production2023: 20,983 lb
Consumer UsesFragrance
Industry UsesFragrance
Household ProductsInformation on 17 consumer products that contain Phenethyl Phenylacetate in the following categories is provided:
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 Information
All Other Chemical Product and Preparation Manufacturing
Benzeneacetic acid, 2-phenylethyl ester: ACTIVE
응용 분야
출처Has apparently not been reported to occur in nature.
용도Phenethyl Phenylacetate is a flavoring agent that is a colorless or pale yellow liquid, with an odor resembling roses and hyacinth, which becomes solid at
제조 방법
By esterification of phenylacetic acid with phenethyl alcohol in the presence of H2SO4; also by direct esterification in the presence of gaseous HCl.
상·하류 제품 정보
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