基本情報
- 標準SMILES
C=CC(=O)OCCCCOC(=O)C=C- InChIKey
JHWGFJBTMHEZME-UHFFFAOYSA-N- 分子式
- C10H14O4
- 平均分子量
- 198.22 g/mol
- 単同位体質量
- 198.08920893
概要
RN given is for 1,4-butanediol diacrylate; structure
名称と識別子
- 優先名称
- Butanediol diacrylate
- IUPAC
- 4-prop-2-enoyloxybutyl prop-2-enoate
- 現地名
- 1,4-ビス(アクリロイルオキシ)ブタン
- 英語名
- 1,4-Butanediol diacrylate
- 分子式
- C10H14O4
- 分子量
- 198.22
名称と別名
名称をさらに表示
データベース識別子
- CAS
1070-70-8、31442-13-4、52277-33-5- PubChem CID
- 70613
- DTXSID
DTXSID6044779- ChEMBL
CHEMBL3182145- UNII
- 53P6JR1A3R
- EC Number
- 213-979-6、825-520-2
- Nikkaji
- J82.104G
物性
構造計算による物性
- XLogP
- 1.9
- 極性表面積
- 52.6 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 4
- 回転可能結合数
- 9
- 重原子数
- 14
- 形式電荷
- 0
- 複雑度
- 196
実験および物理化学的性質
物理化学的性質
- 融点
- -7 °C · -7°C
- 沸点
- 83 °C/0.3 · 83 °C/0.3 mmHg (lit.)
- 比重(密度)
- 1.051 g/mL · 1.051 g/mL at 25 °C (lit.)
- 蒸気圧
- 0.83 hPa · 0.83 hPa (80 °C)
- 屈折率
- 20 · n20/D 1.456(lit.)
- 闪点
- 230 °F · >230 °F
- 貯蔵温度
- 2 · 2-8°C
- 溶解性
- 16.3 g/リットル · 16.3g/リットル
- 外見
- 液体
- 色
- 無色
- 比重
- 1.055 · 1.055-1.105
- 爆発限界(explosive limit)
- 1.3 · 1.3-7%(V)
- 水溶解度
- 水と混和しない。
- InChI
- 1S/C10H14O4/c1-3-9(11)13-7-5-6-8-14-10(12)4-2/h3-4H,1-2,5-8H2
- InChIKey
- JHWGFJBTMHEZME-UHFFFAOYSA-N
- SMILES
- C=CC(=O)OCCCCOC(=O)C=C
- LogP
- 1.9 at · 1.9 at 23℃
- CAS データベース
- 1070 · 1070-70-8(CAS DataBase Reference)
- EPAの化学物質情報
- 1 · 1,4-Butanediol diacrylate (1070-70-8)
化学的性質
化学的特性Colorless liquid
安全と法規制
GHS分類
GHS Classification
Danger
H312: Harmful in contact with skin [Warning Acute toxicity, dermal]
P260, P261, P264, P272, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Danger
H302 (59.2%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P330, P333+P317, P337+P317, P361+P364, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
危険有害性情報
Regulatory Information
Chemical: Poly(oxy-1,4-butanediyl), .alpha.-(1-oxo-2-propenyl)-.omega.-[(1-oxo-2-propenyl)oxy]-
Chemical: 2-Propenoic acid, 1,4-butanediyl ester
2-Propenoic acid, 1,1'-(1,4-butanediyl) ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propenoic acid, 1,1'-(1,4-butanediyl) 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)
FRI - indicates a polymeric substance containing no free-radical initiator in its Inventory name but is considered to cover the designated polymer made with any free-radical initiator regardless of the amount used.
Status: Active Update: 22-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/25214
1,4-Butanediol diacrylate: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Acute Tox. 4 (59.2%)
Skin Irrit. 2 (100%)
Acute toxicity - category 4
Acute Tox. 4 *
安全データ
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- UD3130000
- ridadr
- UN 1760 8/PG 2
- 毒性
- mouse,LD50,oral,1gm/kg (1000mg/kg),Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 55(6), Pg. 86, 1990.
- hs_code
- 2916 12 00
- risk_code
- 21-34-43-23
- 化審法
- (2)-1007, (2)-958
- 消防法
- 危-4-3-III
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- packing_group
- II
- 自然発火温度
- 285 °C
- Hazard Classifications
- Acute Tox. 3 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralAquatic Chronic 3Eye Dam. 1Skin Corr. 1BSkin Sens. 1A
- ストレージクラス
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
化学と産業
用途と製造
General Manufacturing Information
Miscellaneous Manufacturing
2-Propenoic acid, 1,1'-(1,4-butanediyl) ester: ACTIVE
2-Propenoic acid, diester with butanediol: INACTIVE
Poly(oxy-1,4-butanediyl), .alpha.-(1-oxo-2-propen-1-yl)-.omega.-[(1-oxo-2-propen-1-yl)oxy]-: ACTIVE
応用分野
説明A positive patch test was observed in a male process worker in a paint factory, sensitized to an epoxy diacrylate (1,4-butanediol diacrylate) contained in raw materials of UV -light-curable paint. The positive reaction was probably due to a cross reactivity.
使用1,4-Butanediol diacrylate is used as a multifunctional crosslinker. It is used in drying technology for paintings, coatings, inks, resins and adhesives. It serves as an intermediate product for polymer synthesis in the chemical industry.
上流・下流製品情報
上流原料
下流製品
サプライヤー50 社
関連反応
関連ノート
読み込み中…