基本情報
- 標準SMILES
C=C(C)C(=O)OCCOC(=O)CC(C)=O- InChIKey
IBDVWXAVKPRHCU-UHFFFAOYSA-N- 分子式
- C10H14O5
- 平均分子量
- 214.21 g/mol
- 単同位体質量
- 214.08412354
名称と識別子
- 優先名称
- 2-(Acetoacetoxy)ethyl methacrylate
- IUPAC
- 2-(2-methylprop-2-enoyloxy)ethyl 3-oxobutanoate
- 現地名
- エチレングリコール1-(3-オキソブチラート)2-アクリラート
- 英語名
- 2-(ACRYLOYLOXY)ETHYL ACETOACETATE
- 分子式
- C9H12O5
- 分子量
- 200.19
名称と別名
名称をさらに表示
データベース識別子
- CAS
21282-96-2、21282-97-3- PubChem CID
- 88855
- DTXSID
DTXSID7041388- ChEMBL
CHEMBL3188313- UNII
- 6L3EW3HZF2
- EC Number
- 244-311-1、620-986-1
- Nikkaji
- J364.805B
物性
構造計算による物性
- XLogP
- 0.8
- 極性表面積
- 69.7 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 5
- 回転可能結合数
- 8
- 重原子数
- 15
- 形式電荷
- 0
- 複雑度
- 280
実験および物理化学的性質
物理化学的性質
- 沸点
- 257.9 °C · 257.9°C (rough estimate)
- 比重(密度)
- 1.2176 · 1.2176 (rough estimate)
- 屈折率
- 1.4435 · 1.4435 (estimate)
- 闪点
- 96 °C · 96 °C
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 57% (270 of 474) of all reports.
Warning
H315 (11.8%): Causes skin irritation [Warning Skin corrosion/irritation];H317 (20.9%): May cause an allergic skin reaction [Warning Sensitization, Skin];H319 (34%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P261, P264, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 474 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 270 of 474 reports by companies.;There are 11 notifications provided by 204 of 474 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: Butanoic acid, 3-oxo-, 2-[(2-methyl-1-oxo-2-propenyl)oxy]ethyl ester
Butanoic acid, 3-oxo-, 2-[(2-methyl-1-oxo-2-propen-1-yl)oxy]ethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Butanoic acid, 3-oxo-, 2-[(2-methyl-1-oxo-2-propen-1-yl)oxy]ethyl 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: 25-02-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/12402
Butanoic acid, 3-oxo-, 2-[(2-methyl-1-oxo-2-propenyl)oxy]ethyl ester: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Skin Irrit. 2 (11.8%);Skin Sens. 1 (20.9%);Eye Irrit. 2 (34%)
Acute Tox. 4 (100%);Acute Tox. 3 (100%);Skin Irrit. 2 (100%);Eye Irrit. 2 (100%);STOT SE 3 (100%)
法規制情報
Regulatory Information
Chemical: Butanoic acid, 3-oxo-, 2-[(2-methyl-1-oxo-2-propenyl)oxy]ethyl ester
Butanoic acid, 3-oxo-, 2-[(2-methyl-1-oxo-2-propen-1-yl)oxy]ethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Butanoic acid, 3-oxo-, 2-[(2-methyl-1-oxo-2-propen-1-yl)oxy]ethyl 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: 25-02-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/12402
Butanoic acid, 3-oxo-, 2-[(2-methyl-1-oxo-2-propenyl)oxy]ethyl ester: Does not have an individual approval but may be used under an appropriate group standard
安全データ
- wgk
- 3
- rtecs
- AK5600000
- ridadr
- UN 2810 6.1/PG 3
- 毒性
- LD50 orl-rat: 1300 mg/kg TXAPA9 28,313,74
- risk_code
- 22-24-36/37/38
- hazard_code
- T
- safety_code
- 26-36/37-45
化学と産業
用途と製造
General Manufacturing Information
Plastics Material and Resin Manufacturing;Paint and Coating Manufacturing;Adhesive Manufacturing;All Other Basic Organic Chemical Manufacturing
Butanoic acid, 3-oxo-, 2-[(2-methyl-1-oxo-2-propen-1-yl)oxy]ethyl ester: ACTIVE
サプライヤー50 社
関連反応
関連ノート
読み込み中…