n-ブチルアミン
n-ブチルアミン · ブチルアミン · 1-アミノブタン · ノルバラミン · ブタン-1-アミン · 1-ブタンアミン · 1-ブタナミン · 1-アミノブタン(n-ブチルアミン)

識別子と物理属性
| CAS No. | 109-73-9 |
|---|---|
| 分子式 | C4H11N |
| 平均分子量 | 73.14 g/mol |
| 単同位体質量 | 73.08914936 g/mol |
| SMILES | CCCCN |
| InChIKey | HQABUPZFAYXKJW-UHFFFAOYSA-N |
| PubChem CID | 8007 |
| ChEMBL | CHEMBL13968 |
| ChEBI | CHEBI:43799 |
| EC No. | 203-699-2 |
| DTXSID | DTXSID1021904 |
| 現地名 | n-ブチルアミン |
化学・物理的性質
| XLogP | 1 |
|---|---|
| 極性表面積 | 26 |
| 水素結合供与体数 | 1 |
| 水素結合受容体数 | 1 |
| 回転可能結合数 | 2 |
| 重原子数 | 5 |
| 形式電荷 | 0 |
| 複雑度 | 13 |
| LogP(分配係数) | 0.97log Kow = 0.970.86 |
| 臭い | Amine odor... Fishy, ammonia-like odor.魚のようなアンモニアのような。 |
| 密度 | 0.741 at 68 °F (USCG, 1999) - Less dense than waterwill float0.7327 at 25 °C/4 °CRelative density (water = 1): 0.740.732-0.7400.7327 @ 20°C0.74 g/mL at 25 °C(lit.) |
| Viscosity | 0.574 mPa s at 25 °C |
| Color/Form | CLEAR, COLORLESS LIQUID |
| 溶解度 | Soluble (>=10 mg/ml) (NTP, 1992)1000000Miscible with alcohol, etherIn water, 1X10+6 mg/L (miscible) at 25 °C1000 mg/mL at 20 °CSolubility in water: miscible水: 混和性 |
| Corrosivity | It may corrode some metals in the presence of water. |
| 引火点 | 10 °F (NTP, 1992)strong at 3-10 ppm. [ACGIH] 10 °F30 °F (-1 °C) (Open Cup)-12 °C (10 °F) closed cup.-12 °C c.c. |
| 沸点 | 172.4 °F at 760 mmHg (NTP, 1992)7778 °C77.00 to 78.00 °C. @ 760.00 mm Hg78 °C(lit.) |
| Decomposition | When heated to decomposition it emits toxic fumes of /nitrogen oxides/.Products of decomposition include carbon monoxide, carbon dioxide, hydrocarbons, and toxic oxides of nitrogen as well as toxic amine vapors. Ammonia vapors are liberated upon decomposition. |
| 融点 | -58 °F (NTP, 1992)-49.1-50 °C−49 °C(lit.) |
| 蒸気密度 | 2.52 (NTP, 1992) - Heavier than airwill sink (Relative to Air)2.5 (AIR = 1)Relative vapor density (air = 1): 2.52.5 (vs air) |
| 蒸気圧 | 68 mm Hg ( 20 °C) |
| 屈折率 | n20/D 1.401(lit.) |
| FEMA | 3130 | BUTYLAMINE |
| 貯蔵条件 | Store below +30°C. |
| pKa(酸解離定数) | 10.77(at 20℃) |
| 外観・状態 | 液体 |
| 色 | クリア |
| pH | 12.6 (100g/l, H2O, 20℃) |
| 由来生物 | synthetic |
| 臭気閾値 | 0.17ppm |
| においのタイプ | アンモニア性の |
| 爆発限界 | 1.5-9.8%(V) |
| 比熱容量 | Cp(liquid): 2.45 J/(g·K), at 25℃ |
| JECFA Number | 1582 |
| Merck | 14,1543 |
| BRN | 605269 |
| ヘンリー定数 | 1.76 (thermodynamic method-GC/UV spectrophotometry, Altschuh et al., 1999) |
| 誘電率 | 4.9(20℃) |
| 安定性 | 安定。酸化剤、アルミニウム、銅、銅合金、酸とは相容れない。とても燃えやすい。 |
| 主な用途 | フレーバーそして香料 |
| InChI | 1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3 |
| InChIKey | HQABUPZFAYXKJW-UHFFFAOYSA-N |
| SMILES | CCCCN |
| LogP(分配係数) | 0 at 25℃ |
| CAS データベース | 109-73-9(CAS DataBase Reference) |
| NISTの化学物質情報 | 1-Butanamine(109-73-9) |
| EPAの化学物質情報 | Butylamine (109-73-9) |
化学的特性
ブチルアミンは化学式でCH3CH23NH2と表される有機化合物ですアルキルアミンの一種であり無色の気体または液体として存在し強いアンモニア臭が特徴です工業的にはさまざまな化学合成の中間体として重要な役割を果たしており医薬品農薬染料ゴムの加硫剤などの製造に使用されます
化学的特性
n-Butylamine is a derivative of ammonia in which one of the hydrogen atoms is replaced with an alkyl group of four carbons. As such, it reacts with water and acids to form bases and salts, respectively. Acting as a very weak acid, it can react with acyl halides, anhydrides, and esters. With carbon disulfide and carbon dioxide, it forms the butyl ammonium salt of dithiocarbamic and carbamic acids, respectively. With isocyanic acid and alkyl or aryl isocyanates, it forms substituted ureas. When reacted with nitrous acid, rc-butylamine forms butyl alcohol with the release of nitrogen (Schweizer et al 1978). In the presence of water, rc-butylamine may corrode some metals (General Electric Co 1986) and attack glass (Schweizer et al 1978). Liquid n-butylamine also will attack some forms of plastics, rubber, and coatings (NIOSH 1981).
化学性质
ブチルアミンは室温で液体の状態で存在し沸点は約771°C融点は49°Cです水と混和する性質を持ち多くの有機溶剤とも良好に混ざり合いますこの物質は高い揮発性と強い臭いのため取り扱いには適切な換気が必要です
安全性と法規制
| GHS 分類 | DangerH225: Highly Flammable liquid and vapor [Danger Flammable liquids]H302: Harmful if swallowed [Warning Acute toxicity, oral]H312: Harmful in contact with skin [Warning Acute toxicity, dermal]H314: Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H332: Harmful if inhaled [Warning Acute toxicity, inhalation]P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement) |
|---|---|
| 規制情報 | Chemical: 1-ButanamineCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)1-Butanamine is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Butanamine 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: 27-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/13605Status: Active Update: 29-10-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/253911-Butanamine: HSNO Approval: HSR001090 Approved with controlsThe 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.) |
| その他の安全情報 | Evaluation - Chemicals that are unlikely to require further regulation to manage risks to environment |
| 輸送ラベル(DOT) | Flammable Liquid Corrosive |
| 火災危険 | Special Hazards of Combustion Products: Toxic oxides of nitrogen may form in fire.Behavior in Fire: Vapor is heavier than air and may travel to a source of ignition and flash back. Containers may explode in fire. (USCG, 1999)· Flammable/combustible material.· May be ignited by heat, sparks or flames.· Vapors may form explosive mixtures with air.· Vapors may travel to source of ignition and flash back.· Most vapors are heavier than air. They will spread along the ground and collect in low or confined areas (sewers, basements, tanks, etc.). |
用途
用途
界面活性剤?有機ゴム薬品?染料?医薬?農薬?原料、食品添加物、触媒
説明
n-Butylamine is one of the four isomeric amines of butane, the others being sec-butylamine, tert-butylamine, and isobutylamine. It is a colourless to yellow liquid and is highly flammable. It is stable and incompatible with oxidising agents, aluminium, copper, copper alloys, and acids. n-Butylamine finds its uses in the manufacture of pesticides (such as thiocarbazides), pharmaceuticals, and emulsifiers. It is also a precursor for the manufacture of N,N′-dibutylthiourea, a rubber vulcanisation accelerator, and n-butylbenzenesulphonamide, a plasticiser of nylon.
天然物の起源
Reported found in mulberry leaves, kale, tomato, tilsit cheese, cheddar and other cheeses, caviar, fish, cooked chicken, cooked beef, beer, sherry and red wine.
使用
n-Butylamine is used as an intermediatefor various products, including dyestuffs,pharmaceuticals, rubber chemical, synthetictanning agents, and emulsifying agents. It isused for making isocyanates for coatings.
一般的な説明
A clear colorless liquid with an ammonia-like odor. Flash point 10°F. Less dense (6.2 lb / gal) than water. Vapors heavier than air. Produces toxic oxides of nitrogen during combustion.
製法・合成法
製造方法
Catalytic alkylation of ammonia with butyl alcohol.
調製方法
n-Butylamine is usually manufactured by the catalytic alkylation of ammonia with butyl alcohol, or similarly from butyraldehyde and ammonia in the presence of Raney nickel. U.S. production in 1982 was approximately 1109 metric tons (SRI 1985). Some n-butylamine is also produced as a result of fertilizer manufacture, fish processing, rendering plant operations, and sewage treatment and has been reported to be a component of animal waste (Graedel 1978).
純化方法
Dry it with solid KOH, K2CO3, LiAlH4, CaH2 or MgSO4, then reflux it with, and fractionally distil it from P2O5, CaH2, CaO or BaO. Further purification is by precipitation as the hydrochloride, m 213-213.5o, from ethereal solution by bubbling HCl gas into it. This is re-precipitated three times from EtOH by adding ether, followed by liberation of the free amine using excess strong base. The amine is extracted into ether, which is separated, dried with solid KOH, the ether removed by evaporation and then the amine is distilled. It is stored in a desiccator over solid NaOH [Bunnett & Davis J Am Chem Soc 82 665 1960, Lycan et al. Org Synth Coll Vol II 319 1943]. [Beilstein 4 IV 540.] SKIN IRRITANT.