基本情報
- 標準SMILES
C=CC(=O)OCC1CCCO1- InChIKey
YNXCGLKMOXLBOD-UHFFFAOYSA-N- 分子式
- C8H12O3
- 平均分子量
- 156.18 g/mol
- 単同位体質量
- 156.07864424
名称と識別子
- 優先名称
- Tetrahydrofurfuryl acrylate
- IUPAC
- oxolan-2-ylmethyl prop-2-enoate
- 現地名
- アクリル酸テトラヒドロフルフリル
- 英語名
- Tetrahydrofurfuryl acrylate
- 分子式
- C8H12O3
- 分子量
- 156.18
名称と別名
名称をさらに表示
データベース識別子
- CAS
2399-48-6- PubChem CID
- 94232
- DTXSID
DTXSID8044884- ChEMBL
CHEMBL3187472- UNII
- KC4X335T45
- EC Number
- 219-268-7
- Nikkaji
- J82.100D
物性
構造計算による物性
- XLogP
- 1.1
- 極性表面積
- 35.5 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 3
- 回転可能結合数
- 4
- 重原子数
- 11
- 形式電荷
- 0
- 複雑度
- 153
実験および物理化学的性質
Physical Description
Liquid; Other Solid
Clear liquid with a musty odor.
物理化学的性質
- 沸点
- 87 °C/9 · 87 °C/9 mmHg (lit.)
- 比重(密度)
- 1.064 g/mL · 1.064 g/mL at 25 °C (lit.)
- 蒸気圧
- 1.19 hPa · 1.19hPa at 25℃
- 屈折率
- 20 · n20/D 1.46(lit.)
- 闪点
- 230 °F · >230 °F
- 貯蔵温度
- Sealed in dry,Room Temperature
- 溶解性
- Soluble in water
- 外見
- clear liquid
- 色
- Colorless to Almost colorless
- 水溶解度
- 79.1 g/L · 79.1g/L at 20.9℃
- BRN
- 113115 · 113115
- 化粧品成分の機能
- 粘度制御
- InChI
- 1S/C8H12O3/c1-2-8(9)11-6-7-4-3-5-10-7/h2,7H,1,3-6H2
- InChIKey
- YNXCGLKMOXLBOD-UHFFFAOYSA-N
- SMILES
- C=CC(=O)OCC1CCCO1
- LogP
- 0.81 at · 0.81 at 21.7℃
- CAS データベース
- 2399 · 2399-48-6(CAS DataBase Reference)
- EPAの化学物質情報
- Tetrahydrofurfuryl acrylate (2399-48-6)
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 3.7% (16 of 434) of reports.
Danger
H302 (47.9%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P260, P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P318, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P363, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 434 reports by companies from 17 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
危険有害性情報
Regulatory Information
Chemical: 2-Propenoic acid, (tetrahydro-2-furanyl)methyl ester
2-Propenoic acid, (tetrahydro-2-furanyl)methyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propenoic acid, (tetrahydro-2-furanyl)methyl 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: 01-07-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/20149
2-Propenoic acid, (tetrahydro-2-furanyl)methyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and Categories
Acute Tox. 4 (47.9%)
Acute toxicity (Oral) - Category 4
安全データ
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- UD3670893
- ridadr
- 3334
- hs_code
- 29321900
- risk_code
- 36/38
- 化審法
- (5)-57
- 消防法
- 危-4-3-III
- hazard_code
- Xi
- safety_code
- 26
- hazard_class
- 9
- Hazard Classifications
- Aquatic Chronic 3Eye Irrit. 2Skin Irrit. 2
- ストレージクラス
- 10 - Combustible liquids
化学と産業
用途と製造
General Manufacturing Information
Miscellaneous Manufacturing
2-Propenoic acid, (tetrahydro-2-furanyl)methyl ester: ACTIVE
応用分野
使用Tetrahydrofurfuryl acrylate (THFA) can be used to prepare bio-based photopolymers. A series of thermostable shape memory photopolymers were synthesised from a mixture of two bio-based monomers, THFA and tridecyl methacrylate, with the addition of a small amount of 1,3-benzodithiol. Ethyl phenylphosphonate (2,4,6 trimethylbenzoyl) was used as a photoinitiator. The biorenewable carbon content of these photopolymers ranged from (63.7-74.9) %. The increase in THFA content in the photocured resins increased the light curing rate, increased the stiffness, and improved the mechanical and thermal properties of the obtained polymers. The developed bio-based photopolymers could replace petroleum-derived thermostable shape memory polymer analogues in a wide range of applications[1].
使用Tetrahydrofurfuryl acrylate may be used as an acrylic matrix for silver nanoparticles/polymer nanocomposites . It can form copolymers with butadiene. Prior to transfer printing, cellulosic and proteinic fibers are grafted with THFA.
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