p-메틸아세토페논

p-METHYLACETOPHENONE

HCID 8500CAS 122-00-9

기본 정보

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-1-(4-Methylphenyl)ethan-1-one4-Methylphenyl methyl ketoneFEMA 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

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Aromatic Ketones
CosmeticsMasking
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
FragrancesFragrance Ingredient (4'-Methylacetophenone) -> IFRA transparency List
LogP2.10
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

물리화학적 성질

녹는점
22 · 22-24 °C (lit.)
끓는 점
226 °C · 226 °C (lit.)
밀도
1.004 g/mL · 1.004 g/mL at 20 °C 1.005 g/mL at 25 °C (lit.)
증기압
0.52 hPa · 0.52 hPa (25 °C)
FEMA
2677 · 2677 | 4'-METHYLACETOPHENONE
굴절률
20 · n20/D 1.533(lit.)
화학적 성질 · 1건

4'-Methylacetophenone has been identified in Brazilian rosewood oil and in pepper. It occurs as colorless crystals with a floral, sweet odor that is milder than that of acetophenone. 4-Methylacetophenone is prepared from toluene and acetic anhydride or acetyl chloride by a Friedel–Crafts reaction. It is used for blossom notes in mimosaand hawthorn-type perfumes, especially soap perfumes.

안전 및 규제

GHS 분류

GHS Classification · 6건

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 · 5건

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)

Status: Active Update: 08-01-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/5262

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 · 2건

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
HS 번호
29143900

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 · 6건

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

응용 분야 · 4건

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.

용도4'-Methylacetophenone is a methylated acteophenone used in cosmetics and perfumery. The presence of 4'-Methylacetophenone has been shown to accelerate the photopolymerization of Methyl methacrylate.

일반 설명4′-Methylacetophenone is a clear colourless to pale yellowish liquid that occurs naturally in mango, tomato and orange.

제조 방법

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.

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
추가 설명 · 4건

순도시험(1) 비중 : 이 품목의 비중은 1.001~1.004이어야 한다. (2) 굴절률 : 이 품목의 굴절률 은 1.532~1.535이어야 한다. (3) 용상 : 이 품목 1mL를 50% 에탄올 10mL에 녹일 때, 그 액은 징명하여야 한다. (4) 염소화합물 : 이 품목은 향료시험법 중 할로겐시험법 동망법에 따라 시험할 때, 이에 적합하여야 한다.

확인시험이 품목을 적외부흡수스펙트럼측정법 (4) 샌드윗치법에 따라 측정할 때, 1,680cm-1, 1,605cm-1, 1,358cm-1, 1,268cm-1 및 815cm-1의 각각의 부근에 흡수대를 확인한다.

정량법정 량 법 이 품목 약 1g을 정밀히 달아 향료시험법 중 알데히드류 및 케톤류함량측정법의 히드록실아민법 제2법에 따라 시험한다. 단, 가열시간은 1시간으로 한다.0.5N 염산 1mL = 67.07mg C9H10O

정의ChEBI: 4'-Methylacetophenone is an aromatic ketone. It is a metabolite found in or produced by Saccharomyces cerevisiae.

관련 반응

100건

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