p-메틸아세토페논
p-METHYLACETOPHENONE
기본 정보
- CAS
122-00-9- 표준 SMILES
CC(=O)c1ccc(C)cc1- InChIKey
GNKZMNRKLCTJAY-UHFFFAOYSA-N- 분자식
- C9H10O
- 평균 분자량
- 134.17 g/mol
- 단동위원소 질량
- 134.07316494
개요
4'-Methylacetophenone is an aromatic ketone.
이름 및 식별자
- 우선 이름
- p-METHYLACETOPHENONE
- IUPAC
- 1-(4-methylphenyl)ethanone
- 현지명
- p-메틸아세토페논
- 영어명
- 4'-Methylacetophenone
- 분자식
- C9H10O
- 분자량
- 134.18
이름 및 동의어
4'-Methylacetophenone122-00-9p-MethylacetophenoneMelilotal4-METHYLACETOPHENONEp-Methyl acetophenoneEthanone, 1-(4-methylphenyl)-Acetophenone, 4'-methyl-4-Methylphenyl methyl ketone1-(4-Methylphenyl)ethan-1-oneFEMA No. 2677DTXSID9044374
이름 더 보기
4'-메틸아세토페논p-메틸아세토페논1-(p-tolyl)ethan-1-oneFEMA 2677P-ACETYLTOLUENEp-Acetotoluene1-p-tolyl-ethanoneYellow sweet clover4'-Methylacetophenon
AX66V0KX3YNSC-9401DTXCID7024374RefChem:858125204-514-81-(p-Tolyl)ethanone1-(4-Methylphenyl)ethanone4-Acetyltoluene
데이터베이스 식별자
- CAS
122-00-9- PubChem CID
- 8500
- DTXSID
DTXSID9044374- ChEMBL
CHEMBL271871- ChEBI
CHEBI:178626- UNII
- AX66V0KX3Y
- EC Number
- 204-514-8
- Nikkaji
- J2.926B
물성
구조 계산 물성
- XLogP
- 2.1
- 극성 표면적
- 17.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 121
실험 및 물리화학적 성질
Chemical ClassesOther Classes -> Aromatic Ketones
CosmeticsMasking
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
FragrancesFragrance Ingredient (4'-Methylacetophenone) -> IFRA transparency List
LogP
2.10
2.28
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.999-1.010
Flavoring AgentsEU Flavoring substances
Solubility
0.372 mg/mL at 15 °C
insoluble in water; soluble in organic solvents, oils
very soluble (in ethanol)
Boiling Point
222.00 to 226.00 °C. @ 756.00 mm Hg
226 °C
Melting Point28 °C
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 < 0.1% (1 of 1848) of reports.
Warning
H302 (> 99.9%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P280, P301+P317, P302+P352, P321, P330, P332+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1848 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
유해성 정보
Regulatory Information
Chemical: Ethanone, 1-(4-methylphenyl)-
Regulation (EC) No 1831/2003 (amended)
Ethanone, 1-(4-methylphenyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethanone, 1-(4-methylphenyl)- 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)
REACH registered substance: 4'-methylacetophenone (EC: 204-514-8)
4'-Methyl acetophenone: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummarySafe when used as a flavoring agent in food; [JECFA] A mild skin irritant; Harmful by ingestion; [Sigma-Aldrich MSDS] See Acetophenone.
Hazard Classes and Categories
Acute Tox. 4 (> 99.9%)
Flammable liquids - Category 4
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- AM9463000
- ridadr
- UN 1325 4.1/PG 2
- 독성
- LD50 orally in Rabbit: 1400 mg/kg LD50 dermal Rabbit > 2000 mg/kg
화학 및 산업
약리 정보
Cellular LocationsCytoplasm
용도 및 제조
UsesUsed as flavoring agent or adjuvant; [FDA]
U.S. Production2023: 156,021 lb
Consumer UsesFragrance
Industry UsesFragrance
Household ProductsInformation on 9 consumer products that contain P-Methyl Acetophenone 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
Soap, Cleaning Compound, and Toilet Preparation Manufacturing
Ethanone, 1-(4-methylphenyl)-: ACTIVE
응용 분야
개요4'-Methylacetophenone has a fruity, floral odor resembling acetophenone and a sweet, strawberry-like flavor. May be prepared by slow addition of acetyl chloride to a mixture of toluene and AlCl in an ice bath and under vacuum, maintaining the temperature at +5°C and then letting it increase to +20°C.
출처Reported found in the essential oil distilled from the wood of Myrocarpus fastigiatus, Myrocarpus frondo sus, Bois de Rose. Also reported found in sour cherry, orange and grapefruit peel oil, black currants, guava, peach, blackberry, celery, potato, tomato, mentha oils, pepper, parsley, smoked fish, cognac, parmesan cheese, cocoa, tea, soybean, cloudberry, mango, cauliflower, broccoli, rice bran, buckwheat, dried bonito, cherimoya, calabash nutmeg and mastic gum leaf oil, cooked cabbage, mandarin juice.
관련 반응
100건
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