基本情報
- CAS
24615-84-7- 標準SMILES
C=CC(=O)OCCC(=O)O- InChIKey
CYUZOYPRAQASLN-UHFFFAOYSA-N- 分子式
- C6H8O4
- 平均分子量
- 144.12 g/mol
- 単同位体質量
- 144.04225873
名称と識別子
- 優先名称
- 2-Carboxyethyl acrylate
- IUPAC
- 3-prop-2-enoyloxypropanoic acid
- 現地名
- アクリル酸カルボキシエチル
- 英語名
- 2-Carboxyethyl acrylate
- 分子式
- C6H8O4
- 分子量
- 144.13
名称と別名
名称をさらに表示
データベース識別子
- CAS
24615-84-7- PubChem CID
- 90558
- DTXSID
DTXSID2027834- ChEMBL
CHEMBL3185107- UNII
- KM1E1216WR
- EC Number
- 246-359-9
- Nikkaji
- J52.386K
物性
構造計算による物性
- XLogP
- 0.2
- 極性表面積
- 63.6 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 4
- 回転可能結合数
- 5
- 重原子数
- 10
- 形式電荷
- 0
- 複雑度
- 150
実験および物理化学的性質
物理化学的性質
- 沸点
- 103 °C/19 · 103 °C/19 mmHg (lit.)
- 比重(密度)
- 1.214 g/mL · 1.214 g/mL at 25 °C (lit.)
- 屈折率
- 20 · n20/D 1.457(lit.)
- 闪点
- 230 °F · >230 °F
- 貯蔵温度
- 2 · 2-8°C
- 溶解性
- 2 O: · H2O: 可溶
- 酸解離定数(Pka)
- 3.95 · 3.95±0.10(Predicted)
- PH
- 2.95 · 2.95 (10wt. % in H2O)
- 水溶解度
- 2 O: · H2O: soluble
- Merck
- 13 · 13,132
- 化粧品成分の機能
- 爪のコンディショニング
- InChI
- InChI=1S/C6H8O4/c1-2-6(9)10-4-3-5(7)8/h2H,1,3-4H2,(H,7,8)
- InChIKey
- CYUZOYPRAQASLN-UHFFFAOYSA-N
- SMILES
- C(OCCC(O)=O)(=O)C=C
- LogP
- 0.6 · 0.600 (est)
- EPAの化学物質情報
- Hydracrylic acid acrylate (24615-84-7)
化学的性質
化学的特性Colorless to light yellow viscid liquid
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 7.1% (55 of 775) of reports.
Danger
H302 (71.2%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (57.7%): Harmful in contact with skin [Warning Acute toxicity, dermal];H314 (77.8%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H315 (14.8%): Causes skin irritation [Warning Skin corrosion/irritation];H318 (73%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H319 (14.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P330, P332+P317, P337+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 775 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 55 of 775 reports by companies.;There are 13 notifications provided by 720 of 775 reports by companies with hazard statement code(s).;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.
危険有害性情報
Regulatory Information
Chemical: 2-Propenoic acid, 2-carboxyethyl ester
2-Propenoic acid, 2-carboxyethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propenoic acid, 2-carboxyethyl ester 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)
2-Propenoic acid, 2-carboxyethyl ester: Does not have an individual approval but may be used under an appropriate group standard
法規制情報
Regulatory Information
Chemical: 2-Propenoic acid, 2-carboxyethyl ester
2-Propenoic acid, 2-carboxyethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propenoic acid, 2-carboxyethyl ester 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)
2-Propenoic acid, 2-carboxyethyl ester: Does not have an individual approval but may be used under an appropriate group standard
安全データ
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- UD3325250
- ridadr
- UN 3265 8/PG 2
- hs_code
- 29161290
- risk_code
- 34-36/37/38
- 化審法
- 新規公示化学物質(2011年3月31日以前届出)
- hazard_code
- C,Xi
- safety_code
- 23-26-36/37/39-45-36
- Hazard Classifications
- Eye Dam. 1Skin Corr. 1B
- ストレージクラス
- 8A - Combustible corrosive hazardous materials
化学と産業
用途と製造
General Manufacturing Information
Paint and Coating Manufacturing;All Other Chemical Product and Preparation Manufacturing;Printing and Related Support Activities;Adhesive Manufacturing;Miscellaneous Manufacturing;All Other Basic Organic Chemical Manufacturing
2-Propenoic acid, 2-carboxyethyl ester: ACTIVE
応用分野
使用2-Carboxyethyl Acrylate is used in the preparation of DNase enzyme derivatives that act as potent preventative material of bacterial adhesion and biofilm formation in biomaterials.
調製方法
製造方法Synthesis of 1-ethoxyethyl acrylate (EEA) and protected 2-carboxyethyl acrylate (proCEA)EEA and proCEA were synthesized following a previously published procedure and distilled prior to use. For the synthesis of proCEA (Figure 1), phosphoric acid (109 mg, 1.11 mmol) was weighed into a dry round bottom flask in a glovebox and then taken outside the glovebox, taking care that the phosphoric acid stayed dry. 2-Carboxyethyl acrylate (80 g, 555 mmol) and ethyl vinyl ether (48 g, 666 mmol) were added and the reaction was stirred for two days at room temperature. Hydrotalcite (Mg6Al2(OH)16CO3·4H2O, ~1 g) was added, stirred for one hour and filtered off. Excess ethyl vinyl ether was removed under reduced pressure and the product was distilled under reduced pressure (80 °C, 1.3 mbar).Figure 1 Synthesis of proCEA
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補足説明
定義本品は、次の化学式で表される有機化合物である。
関連反応
化合物ノート
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