메틸벤질아세테이트
1-Phenylethyl Acetate
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기본 정보
- CAS
29759-11-3- 표준 SMILES
CC(=O)OC(C)c1ccccc1- InChIKey
QUMXDOLUJCHOAY-UHFFFAOYSA-N- 분자식
- C10H12O2
- 평균 분자량
- 164.2 g/mol
- 단동위원소 질량
- 164.08372962
개요
1-Phenylethyl acetate is a carboxylic ester. It is functionally related to a benzyl alcohol.
이름 및 식별자
- 우선 이름
- 1-Phenylethyl Acetate
- IUPAC
- 1-phenylethyl acetate
- 현지명
- 메틸벤질아세테이트
- 영어명
- Methylbenzyl acetate
- 분자식
- C10
- 분자량
- 0
이름 및 동의어
1-Phenylethyl acetate93-92-5Styralyl acetatealpha-Methylbenzyl acetateMethylphenylcarbinyl acetateMethyl phenyl carbinyl acetatemethyl phenylcarbinyl acetatesec-Phenylethyl acetateUNII-FYS3E9NBA3.alpha.-Methylbenzyl acetateEINECS 202-288-5DTXSID6041636
이름 더 보기
메틸벤질아세테이트METHYLBENZYL아세테이트METHYLBENZYLACETATE(MIXEDORTHO,META,PARA)
Benzenemethanol, alpha-methyl-, acetateBENZENEMETHANOL, .ALPHA.-METHYL-, ACETATE1-Acetoxy-1-phenylethaneBRN 1908635AI3-18152FEMA 2684NSC-2397EC 202-288-5
데이터베이스 식별자
- CAS
29759-11-3、93-92-5- PubChem CID
- 62341
- DTXSID
DTXSID6041636- ChEMBL
CHEMBL3184429- ChEBI
CHEBI:180412- UNII
- FYS3E9NBA3
- EC Number
- 202-288-5、608-412-8
- Nikkaji
- J155.063B
물성
구조 계산 물성보충 중
- XLogP
- 2
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 148
실험 및 물리화학적 성질
FragrancesFragrance Ingredient (alpha-Methylbenzyl acetate) -> IFRA transparency List
Food Additives
FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density
1.024-1.040
1.020-1.035
Flavoring AgentsEU Flavoring substances
Solubility
insoluble in water; soluble in organic solvents, oils
miscible at room temperature (in ethanol)
insoluble in water; soluble in organic solvents, oils
miscible at room temperature (in ethanol)
Boiling Point
94.00 to 95.00 °C. @ 12.00 mm Hg
215-222 °C
214 °C
Refractive Index
1.500-1.510
1.492-1.504
Physical Description
Liquid; Dry Powder; Liquid; CBI
colourless liquid with a powerful sweet floral-fruity, herbaceous odour
colourless liquid with a powerful green-floral odour
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% (1775 of 1775) of all reports.
Not Classified
Aggregated GHS information provided per 1775 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: Benzenemethanol, .alpha.-methyl-, acetate
Regulation (EC) No 1831/2003 (amended)
Benzenemethanol, .alpha.-methyl-, 1-acetate is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenemethanol, .alpha.-methyl-, 1-acetate 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: 24-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/12745
Benzenemethanol, .alpha.-methyl-, acetate: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
화학 및 산업
약리 정보
Cellular LocationsMembrane
용도 및 제조
U.S. Production2023: 10,000,000 - <25,000,000 lb
Consumer UsesFragrance
Industry UsesFragrance
Household ProductsInformation on 114 consumer products that contain Methylbenzyl Acetate in the following categories is provided:
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information
Soap, Cleaning Compound, and Toilet Preparation Manufacturing
Benzenemethanol, .alpha.-methyl-, 1-acetate: ACTIVE
응용 분야
개요Synthesis: By acetylation of the alcohol.
제조 방법
By acetylation of the alcohol.
관련 반응
8건
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