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4-에텐일페놀 아세트산

4-Ethenylphenyl acetate

HCID 75821
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기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
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기본 정보

CAS
2628-16-2
표준 SMILES
C=Cc1ccc(OC(C)=O)cc1
InChIKey
JAMNSIXSLVPNLC-UHFFFAOYSA-N
분자식
C10H10O2
평균 분자량
162.18 g/mol
단동위원소 질량
162.06807956

이름 및 식별자

우선 이름
4-Ethenylphenyl acetate
IUPAC
(4-ethenylphenyl) acetate
현지명
4-에텐일페놀 아세트산
영어명
4-Acetoxystyrene
분자식
C10H10O2
분자량
162.19

이름 및 동의어

4-Acetoxystyrene2628-16-24-Ethenylphenol acetate4-Vinylphenyl acetate4-Ethenylphenyl acetatep-AcetoxystyrenePhenol, 4-ethenyl-, acetatePhenol, 4-ethenyl-, 1-acetatep-Vinylphenol acetateDTXSID2044898Phenol, p-vinyl-, acetateC-908
이름 더 보기
4-아세톡시스타이렌4-에텐일페놀아세트산4-에텐일페놀아세트산(4-ETHENYLPHENOLACETATE)ACETOXYSTYRENEVPAC(4-Ethenylphenyl) acetatePhenol, 4-ethenyl-,1-acetateACS/ASM
BRN 1862793DTXCID00248987S21904AYNACETIC ACID P-VINYLPHENYL ESTERJ71.623E4-06-00-03777 (Beilstein Handbook Reference)RefChem:522572434-600-2

데이터베이스 식별자

CAS
2628-16-2
PubChem CID
75821
DTXSID
DTXSID2044898
ChEMBL
CHEMBL3186305
UNII
7S21904AYN
EC Number
434-600-2、607-905-5
Nikkaji
J71.623E

물성

구조 계산 물성보충 중

XLogP
2.5
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
167

실험 및 물리화학적 성질

Physical DescriptionLiquid

물리화학적 성질

녹는점
7 · 7-8 °C (lit.)
끓는 점
260 °C · 260 °C (lit.)
밀도
1.06 g/mL · 1.06 g/mL at 25 °C (lit.)
굴절률
20 · n20/D 1.538(lit.)
인화점
190 °F · 190 °F
저장 조건
2 · 2-8°C
물리적 상태
액체
색상
무색의
BRN
1862793 · 1862793
InChI
InChI=1S/C10H10O2/c1-3-9-4-6-10(7-5-9)12-8(2)11/h3-7H,1H2,2H3
InChIKey
JAMNSIXSLVPNLC-UHFFFAOYSA-N
SMILES
C1(OC(=O)C)=CC=C(C=C)C=C1
NIST
4 · Phenol, 4-ethenyl-, acetate(2628-16-2)
EPA
4 · Phenol, 4-ethenyl-, acetate (2628-16-2)
화학적 성질 · 1건

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 6건

Danger

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

P260, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P333+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 171 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

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

유해성 정보

Regulatory Information · 4건

Phenol, 4-ethenyl-, 1-acetate is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 4-ethenyl-, 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)

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 16-02-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/24914

Phenol, 4-ethenyl-, acetate: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and Categories · 2건

Acute Tox. 4 (100%)

Acute Tox. 4 (100%)

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
SL3784000
ridadr
2810
독성
LD50 orl-rat: 1503 mg/kg EPASR* 8EHQ-1190-1082
HS 번호
29153900

화학 및 산업

용도 및 제조

U.S. Production2023: 621,129 lb
Industry UsesIntermediate
General Manufacturing Information · 2건

Plastics Material and Resin Manufacturing

Phenol, 4-ethenyl-, 1-acetate: ACTIVE

응용 분야 · 2건

개요4-Acetoxystyrene can be used to synthesize Poly(p-hydroxystyrene) as the main component of photoresist. The chemically amplified photoresist of the poly(p-hydroxystyrene) series is currently the mainstream photoresist product in the world, and it is one of the key technologies for processing photo-etched integrated circuits and manufacturing chips.

용도4-Acetoxystyrene is a stable Styrene monomer which can be readily polymerized and copolymerized to low, medium and high molecular weight polymers. Undergoes free radical polymerization, similar to styrene.

제조 방법 · 1건

The preparation of 4-Acetoxystyrene is as follows:Add p-hydroxystyrene (120g) to a 2L four-neck bottle. triethylamine(106g), phenothiazine (1.2g), Methyl tert-butyl ether (480 g), Dry ice-ethanol bath to -5 to 0 °C, acetyl chloride (86g) was added dropwise with stirring. The internal temperature is controlled at -5 to 0 °C. After the completion of the dropwise addition, the temperature was raised at 10 to 20 °C to continue the reaction for 1 hour. Sampling analysis (central control 1, raw material After completion of the reaction, the mixture was filtered, and the cake was washed with methyl t-butyl ether (50 g × 3). The filtrate was quenched by the addition of 4 g of methanol, and the reaction was stirred for 10 minutes. After completion, phenothiazine (1.2 g) was added and the reaction mixture was concentrated.Methyl tert-butyl ether (580 g) was recovered to give a crude product (160 g).The crude product was distilled under reduced pressure to give the product, p-acetoxy styrene (142 g), yield 87.7%, and sampled for analysis (main content >99%).

관련 반응

125건
반응 기록 만들기
HRID 6281 반응식
HRID 6281생성물로uspto-grants-1993_09
HRID 44122 반응식
HRID 44122반응물로uspto-grants-2013_09
HRID 64519 반응식
HRID 64519반응물로uspto-grants-2016_09
HRID 78868 반응식
HRID 78868반응물로uspto-grants-2014_09
HRID 78876 반응식
HRID 78876반응물로uspto-grants-2014_09
HRID 78878 반응식
HRID 78878반응물로uspto-grants-2014_09
HRID 78884 반응식
HRID 78884반응물로uspto-grants-2014_09
HRID 156347 반응식
HRID 156347반응물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)
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4-Acetoxystyrene is a clear and colorless liquid that is essentially the acetic acid ester of p-vinylphenol. It will homopolymerize readily in the same manner that styrene homopolymerizes and can also be copolymerized with styrene and with monomers which are copolymerizable with styrene. 4-Acetoxystyrene is homopolymerized and copolymerized in aqueous emulsion and, without isolation, the polymer is hydrolyzed to homopolymers and copolymers of p-vinylphenol with a base. Homopolymers and copolymers of p-vinylphenol are used as epoxy resin curing agents and in the preparation of epoxy resins by reaction with epichlorohydrin.

risk_code
22-38-43-36/38
hazard_code
Xn
safety_code
36/37-26
포장분류
III
위험 등급
6.1
기존화학 물질
99-3-1349
Hazard Classifications
Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1
스토리지 클래스
10 - Combustible liquids

상·하류 제품 정보

상류 원료

무수초산나트륨 붕소수화물트리에틸아민팔라듐하이드로퀴논4'-히드록시아세토페논디클로로메탄메틸알콜이소프로필알코올4-ACETOXYACETOPHENONE황산 칼륨

하류 제품

TERT-부틸4-비닐페닐탄산염