基本情報
- CAS
2628-16-2- 標準SMILES
C=Cc1ccc(OC(C)=O)cc1- InChIKey
JAMNSIXSLVPNLC-UHFFFAOYSA-N- 分子式
- C10H10O2
- 平均分子量
- 162.18 g/mol
- 単同位体質量
- 162.06807956
名称と識別子
- 優先名称
- 4-Ethenylphenyl acetate
- IUPAC
- (4-ethenylphenyl) acetate
- 現地名
- 酢酸4-ビニルフェニル
- 英語名
- 4-Acetoxystyrene
- 分子式
- C10H10O2
- 分子量
- 162.19
名称と別名
名称をさらに表示
データベース識別子
- CAS
2628-16-2- PubChem CID
- 75821
- DTXSID
DTXSID2044898- ChEMBL
CHEMBL3186305- UNII
- 7S21904AYN
- EC Number
- 434-600-2、607-905-5
- Nikkaji
- J71.623E
物性
構造計算による物性
- XLogP
- 2.5
- 極性表面積
- 26.3 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 2
- 回転可能結合数
- 3
- 重原子数
- 12
- 形式電荷
- 0
- 複雑度
- 167
実験および物理化学的性質
物理化学的性質
- 融点
- 7 · 7-8 °C (lit.)
- 沸点
- 260 °C · 260 °C (lit.)
- 比重(密度)
- 1.06 g/mL · 1.06 g/mL at 25 °C (lit.)
- 屈折率
- 20 · n20/D 1.538(lit.)
- 闪点
- 190 °F · 190 °F
- 貯蔵温度
- 2 · 2-8°C
- 外見
- 液体
- 色
- 無色透明
- 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
- CAS データベース
- 2628 · 2628-16-2(CAS DataBase Reference)
- NISTの化学物質情報
- 4 · Phenol, 4-ethenyl-, acetate(2628-16-2)
- EPAの化学物質情報
- 4 · Phenol, 4-ethenyl-, acetate (2628-16-2)
化学的性質
化学的特性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.
安全と法規制
GHS分類
GHS Classification
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]
危険有害性情報
Regulatory Information
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
Acute Tox. 4 (100%)
Acute Tox. 4 (100%)
安全データ
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- SL3784000
- ridadr
- 2810
- 毒性
- LD50 orl-rat: 1503 mg/kg EPASR* 8EHQ-1190-1082
- hs_code
- 29153900
- risk_code
- 22-38-43-36/38
- 化審法
- (3)-2784
- 消防法
- 危-4-3-III
- hazard_code
- Xn
- safety_code
- 36/37-26
- hazard_class
- 6.1
- packing_group
- III
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1
- ストレージクラス
- 10 - Combustible liquids
化学と産業
用途と製造
General Manufacturing Information
Plastics Material and Resin Manufacturing
Phenol, 4-ethenyl-, 1-acetate: ACTIVE
応用分野
説明4-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.
使用4-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.
調製方法
製造方法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%).
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