기본 정보
- CAS
101-94-0- 표준 SMILES
Cc1ccc(OC(=O)Cc2ccccc2)cc1- InChIKey
OJEQSSJFSNLMLB-UHFFFAOYSA-N- 분자식
- C15H14O2
- 평균 분자량
- 226.27 g/mol
- 단동위원소 질량
- 226.09937969
개요
P-Tolyl phenylacetate is a member of phenols and a benzoate ester.
이름 및 식별자
- 우선 이름
- p-CRESYL PHENYLACETATE
- IUPAC
- (4-methylphenyl) 2-phenylacetate
- 영어명
- p-Tolyl phenylacetate
- 분자식
- C15H14O2
- 분자량
- 226.27
이름 및 동의어
p-Tolyl phenylacetate101-94-0p-Cresyl phenylacetateBENZENEACETIC ACID, 4-METHYLPHENYL ESTERPhenylacetic acid, p-tolyl esterAcetic acid, phenyl-, p-tolyl ester4-methylphenyl 2-phenylacetate4-Methylphenyl benzeneacetateFEMA No. 3077Cresyl phenylacetate, p-Tolyl alpha-toluate, p-Cresyl alpha-toluate, p-
이름 더 보기
p-tolylFEMA 3077P-TOLYL A-TOLUATEP-CRESYL A-TOLUATEp-Cresyl-α-toluateCresylPhenylAcetate4-TOLYLPHENYLACETATE
NSC 5981Methylphenyl phenylacetate, p-Methylphenyl alpha-toluate, p-EINECS 202-990-1959IBY0PDGp-Tolyl alpha-toluateAI3-17243p-Cresyl alpha-toluate
데이터베이스 식별자
- CAS
101-94-0- PubChem CID
- 60997
- DTXSID
DTXSID7051509- ChEBI
CHEBI:174170- UNII
- 959IBY0PDG
- EC Number
- 202-990-1
물성
구조 계산 물성
- XLogP
- 3.6
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 17
- 형식 전하
- 0
- 복잡도
- 235
실험 및 물리화학적 성질
FragrancesFragrance Ingredient (p-Tolyl phenylacetate) -> IFRA transparency List
LogP3.790
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Flavoring AgentsEU Flavoring substances
Solubility
insoluble in water
moderately soluble (in ethanol)
Boiling Point
310.00 °C. @ 760.00 mm Hg
310 °C
Melting Point76 °C
Physical Description
Solid
White to off white crystals, faint lily, hyacinth, narcissus odour
물리화학적 성질
- 녹는점
- 74 · 74-76 °C(lit.)
- 끓는 점
- 148 °C · 148 °C / 1.5mmHg
- 밀도
- 1.108 · 1.108±0.06 g/cm3(Predicted)
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% (1558 of 1558) of all reports.
Not Classified
Aggregated GHS information provided per 1558 reports by companies from 2 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: Benzeneacetic acid, 4-methylphenyl ester
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Benzeneacetic acid, 4-methylphenyl ester: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Benzeneacetic acid, 4-methylphenyl ester: Human health tier I assessment
Hazard Classes and CategoriesNot Classified
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- CY1679750
- 독성
- LD50 (g/kg): >5 orally in rats; >5 dermally in rabbits (Food Cosmet. Toxicol.)
- HS 번호
- 2916.39.7700
- 기존화학 물질
- KE-33946
- 스토리지 클래스
- 11 - Combustible Solids
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 InformationBenzeneacetic acid, 4-methylphenyl ester: ACTIVE
응용 분야
출처Has apparently not been reported to occur in nature.
용도p-Tolyl phenylacetate are used as the ingredients of jasmine, narcissus, hyacinth, lily, and jonquille perfume compositions; fixative;fragrance ingredient in soaps and household products.
제조 방법
From p-cresol and phenylacetic acid by esterification, or by heating phenylacetyl chloride with freshly distilled p-cresol.
상·하류 제품 정보
상류 원료
공급사100 곳
관련 반응
0건
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