4-Methylphenyl acetate (HCID 8797)

이름 및 식별자

우선 이름: 4-Methylphenyl acetate
IUPAC: (4-methylphenyl) acetate
현지명: 아세트산파라토릴에스테르
영어명: P-TOLYL ACETATE
분자식: C9H10O2
분자량: 150.17

이름 및 동의어

p-Tolyl acetatep-Cresyl acetate140-39-6Acetic acid, 4-methylphenyl esterNarceol4-Methylphenyl acetatep-AcetoxytolueneCresyl acetateParacresyl acetateAcetic acid, p-tolyl esterFEMA No. 307342I5PWW20C

이름 더 보기

아세트산파라토릴에스테르p-톨일아세테이트p-톨일 아세테이트FEMA 30734-METHYL PHENYL ACETATEnarcelop-cresylp-Tolylacetatp-Toylacetatep-cresolacetate

NSC-43244NSC-65594para-cresyl acetateRefChem:858038205-413-14-Tolyl acetatep-Cresol acetate4-Acetoxytoluene

데이터베이스 식별자

CAS: 140-39-6
PubChem CID: 8797
DTXSID: DTXSID0046567
ChEMBL: CHEMBL501246
ChEBI: CHEBI:9627
UNII: 42I5PWW20C
EC Number: 205-413-1
Nikkaji: J3.631E

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 134

실험 및 물리화학적 성질

LogP2.11

Density1.044-1.052

Solubility · 2건

slightly soluble in water; soluble in oils

miscible (in ethanol)

Boiling Point · 2건

208.00 to 212.00 °C. @ 760.00 mm Hg

208-212 °C

Vapor Pressure0.16 [mmHg]

Refractive Index1.499-1.503

물리화학적 성질

녹는점: 48.5 °C · 48.5 °C
끓는 점: 210 · 210-211 °C(lit.)
밀도: 1.047 g/mL · 1.047 g/mL at 25 °C(lit.)
증기압: 21.864 Pa · 21.864Pa at 25℃
굴절률: 20 · n20/D 1.501(lit.)
FEMA: 3073 · 3073 | P-TOLYL ACETATE
인화점: 194 °F · 194 °F
저장 조건: Sealed in dry,Room Temperature
용해도: Insoluble in water
물리적 상태: powder to lump to clear liquid
Specific Gravity: 1.052 · 1.052 (20/4℃)
색상: White or Colorless to Almost white or Almost colorless
냄새: 1 % · 디프로필렌 글리콜 중 1.00%. 수선화 페놀 동물
냄새 유형: 꽃향기
수용성: 1.195 g/L · 1.195g/L at 25℃
JECFA Number: 699 · 699
화장품 원료 기능: 향수
InChI: 1S/C9H10O2/c1-7-3-5-9(6-4-7)11-8(2)10/h3-6H,1-2H3
InChIKey: CDJJKTLOZJAGIZ-UHFFFAOYSA-N
SMILES: CC(=O)Oc1ccc(C)cc1
LogP: 2.11 at · 2.11 at 25℃
NIST: 4 · Acetic acid, 4-methylphenyl ester(140-39-6)
EPA: 4 · Acetic acid, 4-methylphenyl ester (140-39-6)

화학적 성질

p-Tolyl acetate has a strong, floral odor (narcissus) with a characteristic honey-like flavor

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1855 reports by companies from 2 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Regulatory Information · 5건

Chemical: Acetic acid, 4-methylphenyl ester

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

2004/129/EC

Status: Cease Manufacture Update: 30-06-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/18821

Acetic acid, 4-methylphenyl ester: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Acetic acid, 4-methylphenyl ester: Human health tier I assessment

Hazards SummarySafe when used as a flavoring agent in food; [JECFA] A skin and strong eye irritant; Harmful by ingestion; [Sigma-Aldrich MSDS]

Hazard Classes and CategoriesAcute Tox. 4 (100%)

규제 정보

Regulatory Information · 5건

Chemical: Acetic acid, 4-methylphenyl ester

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

2004/129/EC

Status: Cease Manufacture Update: 30-06-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/18821

Acetic acid, 4-methylphenyl ester: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

wgk: 2
tsca: TSCA listed
rtecs: AJ7570000
ridadr: NA 1993 / PGIII
독성: The acute oral LD50 in rats was reported as 1.9 (1.12-3.23) g/kg (Denine, 1973). The acute dermal LD50 in rabbits was reported as 2.1 (1.24-3.57) g/kg (Denine, 1973).
HS 번호: 2915.39.3500
risk_code: 22-36/37/38
hazard_code: Xn
safety_code: 26-36/37/39
위험 등급: 3
기존화학 물질: KE-33943
Hazard Classifications: Acute Tox. 4 Oral
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

약리 정보

Cellular LocationsCytoplasm；Extracellular

용도 및 제조

UsesUsed as a flavoring agent; [FDA]

Household ProductsInformation on 2 consumer products that contain Cresyl Acetate in the following categories is provided:；• Auto Products；• Commercial / Institutional

Use Classification · 4건

Fragrance Ingredients

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing InformationAcetic acid, 4-methylphenyl ester: ACTIVE

응용 분야 · 3건

출처Reported as a constituent of the essential oils of wallflower, cananga and ylang-ylang.

용도Perfumery, flavoring.

일반 설명The Fries rearrangement of p-tolyl acetate has been investigated using the H-form of various zeolites as catalysts. Mechanism of photo-Fries rearrangement of p-tolyl acetate has been studied.

제조 방법

By acetylation of p-cresol.

상·하류 제품 정보

상류 원료

P-크레졸 1,1'-Biphenyl, 2,2'-dimethoxy-5,5'-dimethyl-벤질p-톨릴에테르 P-TOLYLTRIMETHYLSILANE 아세틸브로마이드 p-메틸아세토페논 carbon monoxide 아세틸 염화물 요오드 메탄 초산비닐모노머 4-메틸아니솔

하류 제품

4-히드록시-6-메틸쿠마린 오톨릴아세테이트 4-Acetoxybenzoic acid Acetamide,N-[2-(4-aminophenyl)ethyl]-

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

南京凯美西化工有限公司02558748998 18951874644 · [email protected]

南通润丰石油化工有限公司66017690 19952660367 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

연결된 노트

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아세트산파라토릴에스테르

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