基本情報
- 標準SMILES
C=CC(=O)NCOCCCC- InChIKey
UTSYWKJYFPPRAP-UHFFFAOYSA-N- 分子式
- C8H15NO2
- 平均分子量
- 157.21 g/mol
- 単同位体質量
- 157.11027872
名称と識別子
- 優先名称
- N-(Butoxymethyl)acrylamide
- IUPAC
- N-(butoxymethyl)prop-2-enamide
- 現地名
- N-(ブトキシメチル)アクリルアミド
- 英語名
- N-(ISOBUTOXYMETHYL)ACRYLAMIDE
- 分子式
- C8H15NO2
- 分子量
- 157.21
名称と別名
名称をさらに表示
データベース識別子
- CAS
1852-16-0- PubChem CID
- 15817
- DTXSID
DTXSID9027443- ChEMBL
CHEMBL3187607- UNII
- Z89G4O958A
- EC Number
- 217-442-7
- Nikkaji
- J55.122H
物性
構造計算による物性
- XLogP
- 1.3
- 極性表面積
- 38.3 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 2
- 回転可能結合数
- 6
- 重原子数
- 11
- 形式電荷
- 0
- 複雑度
- 123
実験および物理化学的性質
物理化学的性質
- 融点
- -9 · -9-6 °C
- 沸点
- 108 °C · 108 °C(lit.)
- 比重(密度)
- 0.96 g/mL · 0.96 g/mL at 25 °C(lit.)
- 蒸気圧
- 0.212 Pa · 0.212Pa at 20℃
- 屈折率
- 20 · n20/D 1.461(lit.)
- 闪点
- 175 °F · 175 °F
- 酸解離定数(Pka)
- 13.35 · 13.35±0.46(Predicted)
- 外見
- 液体
- 比重
- 0.96 · 0.960
- 色
- 無色透明
- 水溶解度
- 35.2 g/L · 35.2g/L at 20℃
- LogP
- 1.182 at · 1.182 at 20℃
- CAS データベース
- 1852 · 1852-16-0(CAS DataBase Reference)
- EPAの化学物質情報
- 2 · 2-Propenamide, N-(butoxymethyl)- (1852-16-0)
安全と法規制
GHS分類
GHS Classification
Danger
H301 (27.3%): Toxic if swallowed [Danger Acute toxicity, oral];H302 (72.7%): Harmful if swallowed [Warning Acute toxicity, oral];H311 (28.1%): Toxic in contact with skin [Danger Acute toxicity, dermal];H312 (64%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (40.3%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (40.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H331 (27.3%): Toxic if inhaled [Danger Acute toxicity, inhalation];H332 (15.8%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (40.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H350 (30.2%): May cause cancer [Danger Carcinogenicity];H361 (30.2%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]
P203, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P318, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 139 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;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-Propenamide, N-(butoxymethyl)-
2-Propenamide, N-(butoxymethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propenamide, N-(butoxymethyl)- 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: 09-05-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/20691
2-Propenamide, N-(butoxymethyl)-: 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.
Hazards Summary
Oral LD50 (rat) = 1030 mg/kg; [ChemIDplus] Hazardous polymerization may occur; A skin, eye, and respiratory tract irritant; Readily absorbed through skin; In high-dose animal studies, targets CNS, liver, lungs, eyes, kidneys, and male reproductive system; [MSDSonline]
Hazard Classes and Categories
Acute Tox. 3 (27.3%);Acute Tox. 4 (72.7%);Acute Tox. 3 (28.1%);Acute Tox. 4 (64%);Skin Irrit. 2 (40.3%);Eye Irrit. 2 (40.3%);Acute Tox. 3 (27.3%);Acute Tox. 4 (15.8%);STOT SE 3 (40.3%);Carc. 1B (30.2%);Repr. 2 (30.2%)
Flammable liquids - Category 4;Acute toxicity (Oral) - Category 4;Acute toxicity (Dermal) - Category 3;Serious eye damage/eye irritation - Category 2B;Specific target organ toxicity - Single exposure - Category 1 (systemic toxicity)
毒性情報
法規制情報
Regulatory Information
Chemical: 2-Propenamide, N-(butoxymethyl)-
2-Propenamide, N-(butoxymethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propenamide, N-(butoxymethyl)- 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: 09-05-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/20691
2-Propenamide, N-(butoxymethyl)-: 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.
安全データ
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- AS3630000
- ridadr
- UN 2810 6.1/PG 3
- hs_code
- 2924.19.8000
- risk_code
- 21/22-63-36/37/38-23/24/25-46-45
- 化審法
- (2)-1021, (2)-1070
- 消防法
- 危-4-3-III
- hazard_code
- Xn,T
- safety_code
- 23-24/25-45-36/37/39-26-53
- 有毒物質データの
- 1852-16-0(Hazardous Substances Data)
化学と産業
用途と製造
General Manufacturing Information
Petrochemical Manufacturing;Plastics Material and Resin Manufacturing
2-Propenamide, N-(butoxymethyl)-: ACTIVE
応用分野
用途有機合成原料。
用途繊維加工用樹脂(耐しわ性、耐洗たく性)、塗料用樹脂、接着剤、自己架橋型ゴム、合成樹脂の各種改質用コモノマー
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