基本情報
- 標準SMILES
CCCCCCCCCCN- InChIKey
MHZGKXUYDGKKIU-UHFFFAOYSA-N- 分子式
- C10H23N
- 平均分子量
- 157.3 g/mol
- 単同位体質量
- 157.18304974
概要
Decylamine is an alkylamine.
名称と識別子
- 優先名称
- Decylamine
- IUPAC
- decan-1-amine
- 現地名
- 1-アミノデカン
- 英語名
- Decylamine
- 分子式
- C10H23N
- 分子量
- 157.3
名称と別名
名称をさらに表示
データベース識別子
- CAS
2016-57-1- PubChem CID
- 8916
- DTXSID
DTXSID2022171- ChEMBL
CHEMBL109819- ChEBI
CHEBI:166481- UNII
- M9KKQ6ZZG9
- EC Number
- 217-957-7
- Nikkaji
- J7.849B
物性
構造計算による物性
- XLogP
- 4.2
- 極性表面積
- 26 Ų
- 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
- 8
- 重原子数
- 11
- 形式電荷
- 0
- 複雑度
- 61.9
実験および物理化学的性質
Chemical Classes
Nitrogen Compounds -> Amines, Aliphatic
Industrial compound
Color/Form
Liquid
Water-white liquid
Vapor Pressure
0.1 [mmHg]
0.1 mm Hg at 25 °C
物理化学的性質
- 融点
- 12 · 12-14 °C(lit.)
- 沸点
- 216 · 216-218 °C(lit.)
- 比重(密度)
- 0.787 g/mL · 0.787 g/mL at 25 °C(lit.)
- 屈折率
- 20 · n20/D 1.436(lit.)
- 闪点
- 186 °F · 186 °F
- 貯蔵温度
- room temp
- 溶解性
- クロロホルム、酢酸エチル
- 外見
- 液体
- 酸解離定数(Pka)
- 10.64 · 10.64(at 25℃)
- 色
- 無色透明~黄色または茶色
- BRN
- 1735220 · 1735220
- Henry's Law Constant
- 2.6 · 2.6×10-1 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
- 安定性
- 安定。強力な酸化剤、酸、酸塩化物、酸無水物とは相容れない。空気中の二酸化炭素を吸収できます。
- InChI
- 1S/C10H23N/c1-2-3-4-5-6-7-8-9-10-11/h2-11H2,1H3
- InChIKey
- MHZGKXUYDGKKIU-UHFFFAOYSA-N
- SMILES
- CCCCCCCCCCN
- CAS データベース
- 2016 · 2016-57-1(CAS DataBase Reference)
- NISTの化学物質情報
- 1 · 1-Decanamine(2016-57-1)
- EPAの化学物質情報
- Decylamine (2016-57-1)
化学的性質
化学的特性It is a clear, colorless, flammable, liquid with a ammonia odor. Slightly soluble in water, easily soluble in ethanol, ether, acetone, benzene and chloroform.
安全と法規制
GHS分類
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P262, P264, P270, P273, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P361+P364, P363, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 48 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
安全と保護具
Disposal Methods
SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in soil or water; effects on animal, aquatic, and plant life; and conformance with environmental and public health regulations.
毒性情報
Environmental Fate
TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 260(SRC), determined from a log Kow of 1.92(2) and a regression-derived equation(3), indicates that decylamine is expected to have moderate mobility in soil(SRC). Volatilization of decylamine from moist soil surfaces is expected to be an important fate process(SRC) given a Henry's Law constant of 6.69X10-5 atm-cu m/mole(4). However, a pKa of 10.6(5) indicates decylamine will exist almost entirely in the ionized form at pH values of 5 to 9 and therefore volatilization from moist soil surfaces is not expected to be an important fate process. Decylamine is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 0.1 mm Hg(6). Decylamine was fully degraded within 9 hours when placed in a inoculum of bacteria grown on pure decylamine(7). When decylamine was absorbed into clay and placed in the same inoculum about 50% degradation was observed after 24 hours(7).
AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 260(SRC), determined from a log Kow of 1.92(2) and a regression-derived equation(3), indicates that decylamine is expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(3) based upon a Henry's Law constant of 6.69X10-5 atm-cu m/mole(4). However, a pKa of 10.6(5) indicates decylamine will exist almost entirely in the ionized form at pH values of 5 to 9 and therefore volatilization from water surfaces is not expected to be an important fate process. The pKa of decylamine indicates that this compound will primarily exist in cation form in the environment and cations generally adsorb more strongly to suspended solids and sediment than their neutral counterparts(6). Hydrolysis is not expected to be an important environmental fate process since this compound lacks functional groups that hydrolyze under environmental conditions. According to a classification scheme(7) an estimated BCF of 6(SRC), from its log Kow(2) and a regression-derived equation(8), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Decylamine was fully degraded within 9 hours when placed in a inoculum of bacteria grown on pure decylamine(9). When decylamine was absorbed into clay and placed in the same inoculum about 50% degradation was observed after 24 hours(9).
ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), decylamine, which has a vapor pressure of 0.1 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase decylamine 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 9 hours(SRC), calculated from its rate constant of 4.3X10-11 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). Decylamine does not contain chromophores that absorb light at wavelengths >290 nm and therefore would not be expected to be susceptible to direct photolysis by sunlight(SRC).
Effluent Concentrations
Aliphatic amines are emitted from industries, animal wastes, and waste incineration(1). They have been added to fuels with the object of dissolving potential deposits on the combustion chamber, valves and fuel injection nozzles(1). Specific data in this regard relating to n-decylamine were not located(SRC, 2005).
Soil Adsorption/Mobility
The Koc of decylamine is estimated as 260(SRC), using a log Kow of 1.92(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that decylamine is expected to have moderate mobility in soil. The pKa of decylamine is 10.6(4), indicating that this compound will primarily exist in cation form in the environment and cations generally adsorb more strongly to organic carbon and clay than their neutral counterparts(5).
Artificial Pollution Sources
Decylamine's production and use as a chemical intermediate(1) may result in its release to the environment through various waste streams(SRC). The compound has been used in New Zealand as a honeybee repellant following application of pesticides(2), resulting in its direct release to the environment(SRC). Low molecular weight aliphatic amines have also been used as fuel additives(3).
Environmental Biodegradation
AEROBIC: Decylamine, at a concentration of 120 ppm, was fully degraded within 9 hours when placed on acclimated lima loam inoculum in a montmorillonite soil suspension(1). When decylamine was absorbed into clay complete degradation was not observed after 24 hours(1).
Environmental Bioconcentration
An estimated BCF of 6 was calculated for decylamine(SRC), using a log Kow of 1.92(1) 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 decylamine is 6.69X10-5 atm-cu m/mole(1). This Henry's Law constant indicates that decylamine is expected to volatilize from water surfaces(2). The Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). However, a pKa of 10.6(3) indicates decylamine will exist almost entirely in the ionized form at pH values of 5 to 9 and therefore volatilization from water and soil surfaces is not expected to be an important fate process(2). Decylamine is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 0.1 mm Hg(4).
Environmental Abiotic Degradation
The rate constant for the vapor-phase reaction of decylamine with photochemically-produced hydroxyl radicals has been estimated as 4.3 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1). This corresponds to an atmospheric half-life of about 9 hours at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1). Hydrolysis is not expected to be an important environmental fate process since this compound lacks functional groups that hydrolyze under environmental conditions(2). Decylamine does not contain chromophores that would be expected to absorb light with wavelengths >290 nm and would not be expected to be susceptible to direct photolysis by sunlight(SRC).
Probable Routes of Human Exposure
Occupational exposure to decylamine may occur through inhalation and dermal contact with this compound at workplaces where decylamine is produced or used. Monitoring data indicate that the general population may be exposed to decylamine via inhalation in the vicinity of industrial incinerators, industry, feed lots, and automotive exhaust as these emissions often contain aliphatic amines. (SRC)
Environmental Fate/Exposure Summary
Decylamine's production and use as a chemical intermediate may result in its release to the environment through various waste streams. Decylamine's use as bee repellent is expected to have resulted in its release to the environment through various waste streams. If released to air, a vapor pressure of 0.1 mm Hg at 25 °C indicates decylamine will exist solely as a vapor. Vapor-phase decylamine will be degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals; the half-life for this reaction in air is estimated to be 9 hours. Decylamine does not contain chromophores that absorb light at wavelengths >290 nm and therefore is not expected to be susceptible to direct photolysis by sunlight. If released to soil, decylamine is expected to have moderate mobility based upon an estimated Koc of 260. The pKa of decylamine is 10.6, indicating that this compound will primarily exist in cation form in the environment and cations do not volatilize from water or moist soil surfaces. Cations generally adsorb more strongly to organic carbon and clay than their neutral counterparts. Decylamine should not volatilize from dry soil surfaces based upon its vapor pressure. Decylamine was fully degraded within 9 hours when placed in a inoculum of bacteria grown on pure decylamine. When decylamine was absorbed into clay and then placed in the same inoculum about 50% degradation was observed after 24 hours. If released into water, decylamine is expected to adsorb to suspended solids and sediment based upon the estimated Koc. An estimated BCF of 6 suggests the potential for bioconcentration in aquatic organisms is low. Hydrolysis is not expected to be an important environmental fate process since this compound lacks functional groups that hydrolyze under environmental conditions. Occupational exposure to decylamine may occur through inhalation and dermal contact with this compound at workplaces where decylamine is produced or used. Monitoring data indicate that the general population may be exposed to decylamine via inhalation in the vicinity of industrial incinerators, industry, feed lots, and automotive exhaust as these emissions often contain aliphatic amines. (SRC)
安全データ
- F
- 10-34
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- HD6475000
- ridadr
- UN 2922 8/PG 3
- hs_code
- 29211990
- risk_code
- 22-24-34-20/22
- 化審法
- (2)-133 優先評価化学物質
- 消防法
- 危-4-3-III
- hazard_code
- T
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- packing_group
- III
- Hazard Classifications
- Acute Tox. 3 DermalAcute Tox. 3 OralAquatic Acute 1Aquatic Chronic 1Eye Dam. 1Skin Corr. 1B
- ストレージクラス
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- 有毒物質データの
- 2016-57-1(Hazardous Substances Data)
化学と産業
用途と製造
Uses
Used as chemical intermediate and a honeybee repellant after pesticide use in New Zealand; [HSDB]
Farming (Pesticides) [Category: Industry]
Chemical intermediate
Has been used in New Zealand as a honeybee repellant following application of pesticides
応用分野
用途有機合成原料。
使用1-Decylamine is a intermediate forming the phosphatidylcholine-decylamine liposomal membranes.
一般的な説明Decylamine is a hydrophobic long alkylated cationic ammonium that is used to modify the polarity of reversed phases on octadecylsilyl (ODS) gels.
上流・下流製品情報
上流原料
下流製品
サプライヤー50 社
関連反応
関連ノート
読み込み中…