基本情報
- 標準SMILES
C=CC(=O)OCCCCCCCCCCCCCCCCCC- InChIKey
FSAJWMJJORKPKS-UHFFFAOYSA-N- 分子式
- C21H40O2
- 平均分子量
- 324.5 g/mol
- 単同位体質量
- 324.30283052
概要
See also: Stearyl acrylate polymer (110000 MW) (monomer of).
名称と識別子
- 優先名称
- Stearyl acrylate
- IUPAC
- octadecyl prop-2-enoate
- 現地名
- アクリル酸ステアリル
- 英語名
- Octadecyl acrylate
- 分子式
- C21H40O2
- 分子量
- 324.54
名称と別名
名称をさらに表示
データベース識別子
- CAS
4813-57-4- PubChem CID
- 62552
- DTXSID
DTXSID9063613- UNII
- L37WJG7RTH
- EC Number
- 225-383-3
- Nikkaji
- J82.109H
物性
構造計算による物性
- XLogP
- 9.4
- 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
- 19
- 重原子数
- 23
- 形式電荷
- 0
- 複雑度
- 261
実験および物理化学的性質
物理化学的性質
- 融点
- 32 · 32-34 °C (lit.)
- 沸点
- 402.85 °C · 402.85°C (rough estimate)
- 比重(密度)
- 0.8 g/mL · 0.8 g/mL at 25 °C (lit.)
- 蒸気圧
- 0.001 Pa · 0.001Pa at 25℃
- 屈折率
- 1.5344 · 1.5344 (estimate)
- 闪点
- 230 °F · >230 °F
- 貯蔵温度
- 2 · 2-8°C, stored under nitrogen
- 溶解性
- Insoluble in water
- 外見
- powder to lump to clear liquid
- 色
- White or Colorless to Almost white or Almost colorless
- 水溶解度
- 260.9 ng/L · 260.9ng/L at 25℃
- InChI
- 1S/C21H40O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-21(22)4-2/h4H,2-3,5-20H2,1H3
- InChIKey
- FSAJWMJJORKPKS-UHFFFAOYSA-N
- SMILES
- CCCCCCCCCCCCCCCCCCOC(=O)C=C
- LogP
- 9.08 at · 9.08 at 25℃
- CAS データベース
- 4813 · 4813-57-4(CAS DataBase Reference)
- NISTの化学物質情報
- Octadecyl acrylate(4813-57-4)
- EPAの化学物質情報
- Stearyl acrylate (4813-57-4)
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 0.9% (3 of 339) of reports.
Warning
H315 (99.1%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 339 reports by companies from 21 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: 2-Propenoic acid, octadecyl ester
2-Propenoic acid, octadecyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propenoic acid, octadecyl 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)
Status: Active Update: 08-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/14496
2-Propenoic acid, octadecyl ester: Does not have an individual approval but may be used under an appropriate group standard
安全データ
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- UN 3077 9 / PGIII
- hs_code
- 29161290
- risk_code
- 41-51/53-36/37/38-43-38
- 化審法
- (2)-990
- hazard_code
- Xi,N
- safety_code
- 26-39-61-36/37/39
- Hazard Classifications
- Aquatic Chronic 2Eye Irrit. 2Skin Irrit. 2STOT SE 3
- ストレージクラス
- 11 - Combustible Solids
化学と産業
用途と製造
General Manufacturing Information
Adhesive Manufacturing
2-Propenoic acid, octadecyl ester: ACTIVE
応用分野
説明Octadecyl acrylate is a versatile monomer extensively utilized in synthesizing polymer materials. It presents as a colorless and viscoelastic liquid. Its wide-ranging applications encompass coatings, adhesives, sealants, and printing inks, making it an indispensable ingredient in the polymer industry. Notably, Octadecyl acrylate contributes to the production of polymers used in various medical applications and the manufacturing of polyurethane foams. It serves as a valuable model for studying polymerization reactions, offering insights into the properties of polymer materials. During the polymerization process, Octadecyl acrylate undergoes a crucial reaction. This reaction involves the formation of covalent bonds between the monomer molecules. Precisely, addition polymerization occurs, where a monomer molecule adds to a double bond between two other monomer molecules, establishing the covalent bonds that create the polymer material.
使用Octadecyl Acrylate is a reagent used in the synthesis of comb-like polymers which are incorporated into waterborne latexes improving barrier properties.
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