化工社化工社 化学情報印刷レポート · 研究参考用
2-(ジブチルアミノ)エタノール
2-(ジブチルアミノ)エタノール · N,N-ジブチルエタノールアミン · 2-ジブチルアミノエタノール · 2-(ジ-n-ブチルアミノ)エタノール · 2-(N,N-ジブチルアミノ)エタノール · Ｎ，Ｎジブチルエタノルアミン · 2‐(ジ‐ノルマル‐ブチルアミノ)エタノール · 2‐(ジブチルアミノ)エタノール
識別子と物理属性
| CAS No. | 102-81-8 |
|---|---|
| 分子式 | C10H23NO |
| 平均分子量 | 173.3 g/mol |
| 単同位体質量 | 173.17796436 g/mol |
| SMILES | CCCCN(CCO)CCCC |
| InChIKey | IWSZDQRGNFLMJS-UHFFFAOYSA-N |
| PubChem CID | 7621 |
| ChEMBL | CHEMBL1447214 |
| EC No. | 203-057-1 |
| DTXSID | DTXSID2024953 |
| 現地名 | 2-(ジブチルアミノ)エタノール |
化学・物理的性質
| XLogP | 2.1 |
|---|---|
| 極性表面積 | 23.5 |
| 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 | 8 |
| 重原子数 | 12 |
| 形式電荷 | 0 |
| 複雑度 | 77.9 |
| 物質分類 | Nitrogen Compounds -> EthanolaminesFlammable agents - 2nd degree |
| 密度 | 0.85 (NTP, 1992) - Less dense than waterwill floatRelative density (water = 1): 0.90.860.86 g/mL at 25 °C(lit.) |
| 溶解度 | less than 1 mg/mL at 64 °F (NTP, 1992)Solubility in water at 20 °C: poor0.4%Practically insoluble in water4g/L at 20℃ |
| 引火点 | 210 °F (NTP, 1992)90 °C c.c.195 °F197 °F |
| 沸点 | 435 to 450 °F at 760 mmHg (NTP, 1992)222-232 °C446 °F229-230 °C(lit.) |
| 融点 | -70 °C-70°C(lit.) |
| 蒸気密度 | 6 (NTP, 1992) - Heavier than airwill sink (Relative to Air)Relative vapor density (air = 1): 66 (vs air) |
| 蒸気圧 | 0.1 mmHg (NIOSH, 2024)0.1 [mmHg]Vapor pressure, kPa at ? °C: 3.45Pa at 20℃ |
| Physical Description | Dibutylaminoethanol is a colorless liquid with a mild fishlike odor. Flash point 200 °F. Toxic by ingestion and skin absorption. Used to make other chemicals.Colorless liquid with a faint, amine-like odor[NIOSH]COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR.Colorless liquid with a faint, amine-like odor. |
| 自然発火温度 | 165 °C |
| 屈折率 | n20/D 1.444(lit.) |
| pKa（酸解離定数） | 14.77±0.10(Predicted) |
| 外観・状態 | 無色の液体 |
| 色 | Colorless to Light orange to Yellow |
| BRN | 1738441 |
| 安定性 | 安定。可燃性。強力な酸化剤とは相容れない。 |
| 化粧品成分の機能 | バッファリング |
| InChI | 1S/C10H23NO/c1-3-5-7-11(9-10-12)8-6-4-2/h12H,3-10H2,1-2H3 |
| InChIKey | IWSZDQRGNFLMJS-UHFFFAOYSA-N |
| SMILES | CCCCN(CCO)CCCC |
| LogP（分配係数） | 1.86 at 20℃ |
| CAS データベース | 102-81-8(CAS DataBase Reference) |
| EPAの化学物質情報 | 2-(Dibutylamino)ethanol (102-81-8) |
化学的特性
colourless liquid
安全性と法規制
| GHS 分類 | DangerH302 (87.5%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 273 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H227: Combustible liquid [Warning Flammable liquids] |
|---|---|
| 規制情報 | Chemical: Ethanol, 2-(dibutylamino)-Ethanol, 2-(dibutylamino)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethanol, 2-(dibutylamino)- 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: 17-02-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/53362-N-Dibutylaminoethanol: 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.The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.) |
| 輸送ラベル（DOT） | Poison |
| 火災危険 | Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:· Combustible material: may burn but does not ignite readily.Combustible. Gives off irritating or toxic fumes (or gases) in a fire. Above 90 °C explosive vapour/air mixtures may be formed. |
| 健康有害性 | Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:· TOXIC and/or CORROSIVEinhalation, ingestion or skin contact with material may cause severe injury or death. |
| 有害性の概要 | In animals: irritation of eyes, skin, and nosecorneal necrosisweight loss[NIOSH] Molten substance may cause severe burns[CAMEO] May be corrosive to skin and eyes based on animal results[CHEMINFO] DBAE is an irritant of the nose and eyes. Animal studies show that DBAE inhibits acetylcholinesterase. The median lethal dose in rats dying of respiratory arrest is 89.1 mg/kg. Five rats with inhalation exposures of 33 ppm 6 hours a day for 5 days had no mortality. [ACGIH] |
| 輸送番号・ガイド（DOT） | 2873 153 |
| 反応性グループ | Alcohols and Polyols |
| UN 分類 | UN Hazard Class: 6.1UN Pack Group: III |
| Reactivity Profile | DIBUTYLAMINOETHANOL is an aminoalcohol. Amines are chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides. |
| Chemical Dangers | Reacts with oxidants. Attacks many metals. This produces flammable/explosive gas (hydrogen - see ICSC 0001). Decomposes on burning. This produces nitrogen oxides. |
| Flammable Limits | Class IIIA Combustible Liquid: Fl.P. at or above 140 °F and below 200 °F. |
| Packaging and Labelling | Do not transport with food and feedstuffs. |
| 消火 | Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:Use water spray, alcohol-resistant foam, dry powder, carbon dioxide. |
| 応急処置措置 | Fresh air, rest. Artificial respiration may be needed. Refer for medical attention.Remove contaminated clothes. Rinse and then wash skin with water and soap. Refer for medical attention .First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.Rinse mouth. Give one or two glasses of water to drink. Do NOT induce vomiting. Refer for medical attention . |
| 漏出応急措置 | · CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area. |
| 応急処置 | EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.General First Aid:(General first aid procedures) |
| 安全保管 | Separated from strong acids, oxidants, metals and food and feedstuffs. Well closed. Ventilation along the floor. |
| 暴露管理・個人防護 | · Wear positive pressure self-contained breathing apparatus (SCBA). |
| 非火災時の漏出対応 | Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]: |
| 漏出処分 | Personal protection: complete protective clothing including self-contained breathing apparatus. Do NOT let this chemical enter the environment. Ventilation. Remove all ignition sources. Collect leaking and spilled liquid in sealable containers as far as possible. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations. |
| Isolation and Evacuation | Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:Immediate precautionary measure |
| Eye Prevention | Wear face shield. |
| Fire Prevention | NO open flames. NO contact with oxidizing agents. Above 90 °C use a closed system and ventilation. |
| Inhalation Risk | A harmful contamination of the air can be reached rather quickly on evaporation of this substance at 20 °C. |
| 標的器官 | Eyes, skin, respiratory system |
| 有害作用 | Dermatotoxin - Skin burns. |
| 暴露経路 | The substance can be absorbed into the body by inhalation, through the skin and by ingestion.inhalation, skin absorption, ingestion, skin and/or eye contact |
| Signs and Symptoms | Cough. Sore throat. Nausea. Convulsions. Dizziness. Laboured breathing. Pupillary constriction, muscle cramp, excessive salivation. Sweating. Unconsciousness.MAY BE ABSORBED! Skin burns. Pain. Redness. See Inhalation.Pain. Redness. Severe deep burns.Abdominal pain. Burning sensation. Shock or collapse. Abdominal cramps. Diarrhoea. Vomiting. See Inhalation.In Animals: irritation eyes, skin, nosedermatitisskin, corneal necrosisweight loss |
| ICSC Environmental Data | The substance is harmful to aquatic organisms. |
| 職業暴露区分（OEB） | A |
| 職業暴露限界（OEL） | TWA: 2 ppm (14 mg/m3) [skin] |
| 水環境危害等級（WGK） | 1 |
| TSCA 収載状態 | TSCA listed |
| RTECS 番号 | KK3850000 |
| 輸送番号（UN） | UN 2873 |
| 税関コード | 2922.19.9690 |
| 危険文句（R） | 21/22-34 |
| 化審法 | (2)-353 |
| 安衛法 | 57,57-2 |
| 消防法 | 危-4-3-III |
| 危険表示 | C |
| 安全措置（S） | 26-36/37/39-45 |
| 危険等級 | 6.1Acute Tox. 4 DermalAcute Tox. 4 OralAquatic Chronic 3Eye Dam. 1Skin Corr. 1CSTOT SE 3 |
| 包装等級 | III |
| 環境リスク評価 | 2-(ジ-n-ブチルアミノ)エタノール(102-81-8) |
| 貯蔵分類 | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
用途
用途
ウレタンの触媒、繊維助剤、乳化剤
使用
2-(Dibutylamino)ethanol (DBAE) may be used as a coreactant to enhance the electrochemiluminescence (ECL) of tris(2,2′-bipyridyl)ruthenium(II) [Ru(bpy)32+], employed in the ECL immunoassays and DNA probe assays. DBAE may also be used as a catalyst during the synthesis of protected D-erythro-(2S,3R)-sphingosine.
一般的な説明
2-(DIBUTYLAMINO)ETHANOL is a colorless liquid with a mild fishlike odor. Flash point 200°F. Toxic by ingestion and skin absorption. Used to make other chemicals.