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Octadecylamine
ステアリルアミン · アルミーン1180 · ステアラミン · 1-オクタデカンアミン · オクタデカン-1-アミン · ケマミンP990 · ケマミンP-990 · アラミン7
識別子と物理属性
| CAS No. | 124-30-1 |
|---|---|
| 分子式 | C18H39N |
| 平均分子量 | 269.5 g/mol |
| 単同位体質量 | 269.30825025 g/mol |
| SMILES | CCCCCCCCCCCCCCCCCCN |
| InChIKey | REYJJPSVUYRZGE-UHFFFAOYSA-N |
| PubChem CID | 15793 |
| ChEMBL | CHEMBL55860 |
| ChEBI | CHEBI:63866 |
| EC No. | 204-695-3 |
| DTXSID | DTXSID1025801 |
| 現地名 | ステアリルアミン |
化学・物理的性質
| XLogP | 8.5 |
|---|---|
| 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 | 16 |
| 重原子数 | 19 |
| 形式電荷 | 0 |
| 複雑度 | 145 |
| 物質分類 | Nitrogen Compounds -> Amines, Aliphatic |
| 化粧品 | Cosmetic ingredients (Stearamine) -> CIR (Cosmetic Ingredient Review)Personal care productAntistatic |
| LogP（分配係数） | 7.7 |
| 食品添加物 | BOILER WATER ADDITIVE -> FDA Substance added to food |
| 密度 | 0.8618 at 68 °F (NTP, 1992) - Less dense than waterwill float0.8618 @ 20 °C/4 °C0.86 g/cm³0.862 |
| 溶解度 | less than 1 mg/mL at 72 °F (NTP, 1992)Insol in watersol in alcohol, ether, benzenevery sol in chloroformmiscible in acetoneSolubility in water: very poor実質的に不溶 |
| 引火点 | 300 °F (NTP, 1992)148 °C c.c. |
| 沸点 | 660 °F at 760 mmHg (NTP, 1992)346.8 °C @ 760 mm Hg232 °C32 mm Hg(lit.) |
| Decomposition | When heated to decomposition it emits toxic fumes of nitroxides. |
| 融点 | 120 to 126 °F (NTP, 1992)52.9 °C49 - 52 °C50-52 °C(lit.) |
| 蒸気密度 | 9.29 (NTP, 1992) - Heavier than airwill sink (Relative to Air) |
| 蒸気圧 | 0.0000438 [mmHg]10 mm Hg ( 72 °C) |
| 屈折率 | 1.4522 |
| 貯蔵条件 | Store below +30°C. |
| 外観・状態 | プリル |
| pKa（酸解離定数） | 10.6(at 25℃) |
| 色 | 白い |
| 凝固点 | 53.1℃ |
| BRN | 636111 |
| ヘンリー定数 | 1.0×10-2 mol/(m3Pa) at 25℃, HSDB (2015) |
| 化粧品成分の機能 | 帯電防止 |
| InChI | 1S/C18H39N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-19H2,1H3 |
| InChIKey | REYJJPSVUYRZGE-UHFFFAOYSA-N |
| SMILES | CCCCCCCCCCCCCCCCCCN |
| LogP（分配係数） | 4.33 at 25℃ |
| CAS データベース | 124-30-1(CAS DataBase Reference) |
| NISTの化学物質情報 | 1-Octadecanamine(124-30-1) |
| EPAの化学物質情報 | Stearamine (124-30-1) |
化学的特性
White prills
安全性と法規制
| GHS 分類 | DangerH304: May be fatal if swallowed and enters airways [Danger Aspiration hazard]P260, P264, P264+P265, P273, P280, P301+P316, P302+P352, P305+P354+P338, P317, P319, P321, P331, P332+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)This chemical does not meet GHS hazard criteria for 0.8% (7 of 907) of reports.H302 (49.3%): Harmful if swallowed [Warning Acute toxicity, oral] |
|---|---|
| 規制情報 | Chemical: 1-Octadecanamine1-Octadecanamine is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Octadecanamine 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: 12-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/144181-Octadecanamine: HSNO Approval: HSR001542 Approved with controls |
| その他の安全情報 | IMAP assessments - 1-Octadecyl- and hydrogenated tallow alkyl- amines: Human health tier II assessment |
| 輸送ラベル（DOT） | Corrosive |
| 火災危険 | This compound is combustible. (NTP, 1992)Combustible. Gives off irritating or toxic fumes (or gases) in a fire. |
| 健康有害性 | ACUTE/CHRONIC HAZARDS: Exposure to this compound may cause sensitization of the skin. (NTP, 1992) |
| 有害性の概要 | A skin, eye, and respiratory tract irritant[ICSC] May cause skin sensitizationA primary skin irritant in animalsA 2-year feeding study of rats showed no adverse effects to food consumption, hematology, or histopathology at 500 ppmEffects at 3000 ppm include anorexia and some histological changes to GI tract, mesenteric nodes, and liver[HSDB] A moderate skin irritant in rabbits[RTECS] A skin irritant that may cause serious eye injuryNot likely to induce skin sensitizationNo evidence of mutagenicityNot likely to have carcinogenic potential or reproductive toxicity[ECHA] An irritantHarmful if swallowed[Alfa Aesar MSDS] |
| 反応性グループ | Amines, Phosphines, and Pyridines |
| Reactivity Profile | OCTADECYLAMINE neutralizes acids in exothermic reactions to form salts plus water. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen may be generated in combination with strong reducing agents, such as hydrides. |
| Chemical Dangers | Decomposes on burning. This produces toxic fumes including nitrogen oxides. The solution in water is a weak base. Reacts with acids, acid anhydrides, acid chlorides and oxidants. |
| Air and Water Reactions | Insoluble in water. |
| Hazard Classes and Categories | Acute Tox. 4 (49.3%)Aspiration hazard - category 1Skin corrosion/irritation - Category 2Serious eye damage/eye irritation - Category 1Asp. Tox. 1 |
| 消火 | Fires involving this compound can be controlled with dry chemical, carbon dioxide or Halon extinguishers. (NTP, 1992)Use water spray, powder, foam, carbon dioxide. |
| 応急処置措置 | Fresh air, rest.Rinse and then wash skin with water and soap.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. |
| 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. |
| 安全保管 | Separated from acids, acid anhydrides, acid chlorides and oxidants. |
| 非火災時の漏出対応 | SMALL SPILLS AND LEAKAGE: If you spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then dampen the solid spill material with toluene, then transfer the dampened material to a suitable container. Use absorbent paper dampened with toluene to pick up any remaining material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent-wash all contaminated surfaces with toluene followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned. |
| 処分方法 | SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices. |
| 漏出処分 | Personal protection: particulate filter respirator adapted to the airborne concentration of the substance. Sweep spilled substance into covered sealable containers. Carefully collect remainder. Then store and dispose of according to local regulations. |
| Isolation and Evacuation | Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]: |
| Eye Prevention | Wear safety goggles. |
| Fire Prevention | NO open flames. |
| Inhalation Risk | No indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C. |
| Skin Prevention | Protective gloves. |
| 相互作用 | IF (3)H-METHOTREXATE IS COMPLETELY ENTRAPPED IN LIPOSOMES CONCN OF DRUG IN LIVER & SPLEEN INCR. IF DICETYL PHOSPHATE IN LIPOSOMES IS REPLACED BY STEARYLAMINE GREATER PROP OF LIPOSOMES IS TAKEN UP BY LIVER & SPLEEN. |
| 環境中動態 | TERRESTRIAL FATE: Based on a classification scheme(1), an estimated log Koc value of 5.5(SRC), determined from an estimated log Kow of 7.7(2,SRC) and a regression-derived equation(3), indicates that octadecylamine is expected to be immobile in soil(SRC). A pKa value of 10.65(4) indicates that the protonated form will be the dominant species in moist soil surfaces and cationic molecules generally adsorb strongly to soils(SRC). Volatilization of octadecylamine from moist soil surfaces is not expected to be an important fate process since the protonated form is expected to be the dominant species based on the pKa value(4). Volatilization of octadecylamine from dry soil surfaces is not expected(SRC) based upon the estimated vapor pressure of 4.4X10-5 mm Hg at 25 °C(5). A 32% of theoretical BOD in an activated sludge inoculum was observed over a 15-day incubation period(6), suggesting that biodegradation may be rapid in the environment(SRC).AQUATIC FATE: Based on a classification scheme(1), an estimated log Koc value of 5.5(SRC), determined from an estimated log Kow of 7.7(2,SRC) and a regression-derived equation(3), indicates that octadecylamine is expected to adsorb to suspended solids and sediment in water(SRC). A pKa value of 10.65(4) indicates that the protonated form will be the dominant species in water and volatilization from water surfaces is not expected to be an important fate process(SRC). According to a classification scheme(5), an estimated log BCF of 5.6(3,SRC), from its estimated log Kow(2,SRC), suggests the potential for bioconcentration in aquatic organisms is very high(SRC). A 32% of theoretical BOD in an activated sludge inoculum was observed over a 15-day incubation period(6), suggesting that biodegradation may be rapid in the environment(SRC).ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), octadecylamine, which has an estimated vapor pressure of 4.4X10-5 mm Hg at 25 °C(2), is expected to exist in both the vapor and particulate phases in the ambient atmosphere. Vapor-phase octadecylamine is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC)the half-life for this reaction in air is estimated to be 10 hours(SRC) from its estimated rate constant of 3.4X10-11 cu cm/molecule-sec at 25 °C(SRC), determined from a structure estimation method(3). Particulate-phase octadecylamine will be removed from the atmosphere by wet and dry depostion(SRC). |
| 暴露経路 | The substance can be absorbed into the body by ingestion. |
| 毒性の概要 | The safety of Lauramine and Stearamine has not been documented and substantiated. The CIR Expert Panel cannot conclude whether these ingredients are safe for use in cosmetic products until the appropriate safety data have been obtained and evaluated.The available data are insufficient to support safety |
| Signs and Symptoms | Cough. Sore throat.Redness. Pain. |
| ICSC Environmental Data | Environmental effects from the substance have not been investigated adequately. |
| Soil Adsorption/Mobility | The Koc of octadecylamine is estimated as approximately 3.198X10+5(SRC), using an estimated log Kow of 7.7(1,SRC) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that octadecylamine is expected to be immobile in soil(SRC). |
| Human Toxicity Excerpts | SAID TO BE PRIMARY SKIN SENSITIZER.The effects of non-drug-containing liposomes of different compositions and sizes on the proliferation of nine cancer-derived and one normal cultured human cell lines were determined. Stearylamine- and cardiolipin-containing liposomes were toxic (ID50) at 200 uM liposomal lipid concentrations or less ... |
| Artificial Pollution Sources | Octadecylamine's production and use as a corrosion protection agent in steam plants(1) may result in its release to the environment through various waste streams(SRC). |
| Environmental Biodegradation | A 32& of theoretical BOD using an activated sludge inoculum was observed for octadecylamine over a 15-day incubation period(1), suggesting that biodegradation may be rapid in the environment(SRC). |
| Environmental Bioconcentration | An estimated log BCF of 5.6 was calculated for octadecylamine(SRC), using an estimated log Kow of 7.7(1,SRC) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is low(SRC). |
| Volatilization from Water/Soil | The Henry's Law constant for octadecylamine is estimated as 9.4X10-4 atm-cu m/mole(SRC), using a fragment constant estimation method(1). This Henry's Law constant indicates that the neutral form of octadecylamine is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as approximately 6 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as approximately 167 hours(SRC). A pKa of 10.65(3) indicates octadecylamine will exist predominately in the protonated form at environmental pHs and therefore volatilization from water and moist soil surfaces is not expected to be an important fate process(SRC). Octadecylamine is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 4.4X10-5 mm Hg at 25 °C(4). |
| 水環境危害等級（WGK） | 2 |
| TSCA 収載状態 | TSCA listed |
| RTECS 番号 | RG4150000 |
| 輸送番号（UN） | 3259 |
| 毒性 | LD50 orally in Rabbit: 2395 mg/kg |
| 税関コード | 29211980 |
| 危険文句（R） | 36/37/38-41-38-65-50/53-48/22 |
| 化審法 | (2)-133, (2)-176, (2)-185 優先評価化学物質 |
| 危険表示 | Xi,N,Xn |
| 安全措置（S） | 26-36-37/39-28B-62-61-60-36/37/39 |
| 危険等級 | 8Aquatic Acute 1Aquatic Chronic 1Asp. Tox. 1Eye Dam. 1Skin Irrit. 2STOT RE 2 |
| 包装等級 | III |
| 貯蔵分類 | 11 - Combustible Solids |
| 有害物質データ | 124-30-1(Hazardous Substances Data) |
用途
用途
乳化剤、浸潤剤、分散剤、浮遊選鉱剤、陽イオン活性剤の製造、防水剤の原料。
用途
界面活性剤原料
使用
Octadecylamine is used in biological studies for the formation of ion pairing as alternative to improve encapsulation and stability and to reduce skin irritation of retinoic acid loaded in solid lipid nanoparticles.
一般的な説明
A white solid. Insoluble in water and less dense than water. Hence floats on water. Contact may irritate skin, eyes and mucous membranes. May be toxic by ingestion. Used to make other chemicals.
製法・合成法
調製方法
Octadecylamine is manufactured under the trade names of Adogen 142D (Ashland), Alamine 7D (General Mills), Armeen 18D (Armak), Kemamine P- 990D (Humko), and Jetamine 18D (Jetco).