基本情報
- 標準SMILES
C#CCOC(=O)NCCCC- InChIKey
JTDBXHIIVZZXDH-UHFFFAOYSA-N- 分子式
- C8H13NO2
- 平均分子量
- 155.19 g/mol
- 単同位体質量
- 155.09462866
名称と識別子
- 優先名称
- 2-Propynyl butylcarbamate
- IUPAC
- prop-2-ynyl N-butylcarbamate
- 現地名
- 2-プロピニル ブチルカルバマト
- 英語名
- Propargyl butylcarbamate
- 分子式
- C8H13NO2
- 分子量
- 155.19
名称と別名
名称をさらに表示
データベース識別子
- CAS
76114-73-3- PubChem CID
- 10877354
- DTXSID
DTXSID2072835- EC Number
- 616-291-8
- Nikkaji
- J2.014.403C
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
- 5
- 重原子数
- 11
- 形式電荷
- 0
- 複雑度
- 157
実験および物理化学的性質
物理化学的性質
- 沸点
- 233 °C · 233°C
- 比重(密度)
- 0.99 · 0.990
- 蒸気圧
- 0.41 · 0.41-76Pa at -1.51-50℃
- 屈折率
- 1.452 · 1.452
- 闪点
- 95 °C · 95°C
- 貯蔵温度
- 2 · 2-8°C
- 溶解性
- DMSO (Slightly), Methanol (Slightly)
- 外見
- Oil
- 酸解離定数(Pka)
- 12.03 · 12.03±0.46(Predicted)
- 色
- Clear Colourless
- 臭い (Odor)
- Mild odor
- LogP
- 1.86 · 1.86-1.9 at 25℃ and pH7.2
- 表面張力
- 55.47 mN/m · 55.47mN/m at 1g/L and 20℃
- EPAの化学物質情報
- 2 · Carbamic acid, butyl-, 2-propynyl ester (76114-73-3)
安全と法規制
GHS分類
GHS Classification
Warning
H302+H332 (81.6%): Harmful if swallowed or if inhaled [Warning Acute toxicity, oral; acute toxicity, inhalation];H302 (89.8%): Harmful if swallowed [Warning Acute toxicity, oral];H317 (91.8%): May cause an allergic skin reaction [Warning Sensitization, Skin];H332 (87.8%): Harmful if inhaled [Warning Acute toxicity, inhalation];H412 (95.9%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P261, P264, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 49 reports by companies from 7 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
Carbamic acid, N-butyl-, 2-propyn-1-yl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Carbamic acid, N-butyl-, 2-propyn-1-yl 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)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Cease Manufacture Update: 22-12-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/1002;Status: Active Update: 03-05-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/12315;Status: Active Update: 24-07-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/6225
法規制情報
Regulatory Information
Carbamic acid, N-butyl-, 2-propyn-1-yl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Carbamic acid, N-butyl-, 2-propyn-1-yl 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)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Cease Manufacture Update: 22-12-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/1002;Status: Active Update: 03-05-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/12315;Status: Active Update: 24-07-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/6225
安全データ
- tsca
- TSCA listed
化学と産業
用途と製造
General Manufacturing Information
Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing
Carbamic acid, N-butyl-, 2-propyn-1-yl ester: ACTIVE
応用分野
一般的な説明Propargyl Butylcarbamate is a chemical compound known for its role as a biocide and stabilizer. It finds various applications across different industries due to its unique properties.
上流・下流製品情報
上流原料
サプライヤー43 社
関連反応
関連ノート
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