Decylamin

N-DECYLAMINE · Decanamine · 1-Decanamine · 1-AMINODECANE · Amine 10 · Decylamin · AMINE C10 · DECYLAMINE

Identifikatoren & physikalische Daten

CAS No.	2016-57-1
Summenformel	C10H23N
Durchschnittliche Molmasse	157,3 g/mol
Monoisotopische Masse	157,18304974 g/mol
SMILES	CCCCCCCCCCN
InChIKey	MHZGKXUYDGKKIU-UHFFFAOYSA-N
PubChem CID	8916
ChEMBL	CHEMBL109819
ChEBI	CHEBI:166481
EC No.	217-957-7
DTXSID	DTXSID2022171
Lokaler Name	Decylamin

Chemische & physikalische Eigenschaften

XLogP	4,2
Polarare Oberfläche (TPSA)	26
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	1
Frei drehbare Bindungen	8
Schwere Atome	11
Formalladung	0
Komplexität	61,9
Stoffklassen	Nitrogen Compounds -> Amines, AliphaticIndustrial compound
SpringerMaterials Properties	Boiling point
LogP (Verteilungskoeffizient)	log Kow = 1.92
Geruch	Amine odor
Dichte	0.730.787 g/mL at 25 °C(lit.)
Color/Form	LiquidWater-white liquid
Löslichkeit	In water, 5.5X10+2 mg/L at 25 °CChloroform, Ethyl Acetate
Siedepunkt	220.5 °C216-218 °C(lit.)
Schmelzpunkt	17 °C12-14 °C(lit.)
Dampfdichte	5.5 (Air = 1)
Dampfdruck	0.1 [mmHg]0.1 mm Hg at 25 °C
Brechungsindex	Index of refraction = 1.437 at 20 °Cn20/D 1.436(lit.)
Flammpunkt	186 °F
Lagerbedingungen	room temp
Aggregatzustand	Liquid
pKa (Säurekonstante)	10.64(at 25℃)
Farbe	Clear colorless to yellow or brown
BRN	1735220
Henry-Konstante	2.6×10-1 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
Stabilität	Stable. Incompatible with strong oxidizing agents, acids, acid chlorides, acid anhydrides. Absorbs carbon dioxide from the air.
InChI	1S/C10H23N/c1-2-3-4-5-6-7-8-9-10-11/h2-11H2,1H3
InChIKey	MHZGKXUYDGKKIU-UHFFFAOYSA-N
SMILES	CCCCCCCCCCN
CAS Datenbank	2016-57-1(CAS DataBase Reference)
NIST chemische Informationen	1-Decanamine(2016-57-1)
EPA chemische Informationen	Decylamine (2016-57-1)

Sicherheit & Vorschriften

GHS-Einstufung	DangerH301 (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.
Regulatorische Informationen	Chemical: 1-Decanamine
Gefahrenübersicht	An irritant[Hawley] A corrosive substance that can cause injury to the skin, eyes, and respiratory tractInhalation may cause chemical pneumonitis and pulmonary edemaReadily absorbed through skin[Aldrich MSDS]
Hazard Classes and Categories	Acute Tox. 3 (100%)
Entsorgungsverfahren	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 qualitypotential migration in soil or watereffects on animal, aquatic, and plant lifeand conformance with environmental and public health regulations.
Umweltverhalten	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).
Unerwünschte Wirkungen	Dermatotoxin - Skin burns.
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 radicalsthe 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)
F	10-34
Wassergefährdungsklasse (WGK)	2
TSCA-Inventar-Status	TSCA listed
UN-Transportnummer	UN 2922 8/PG 3
Zollcode	29211990
RTECS-Nr.	HD6475000
R-Sätze (R)	22-24-34-20/22
Gefahrensymbole	T
Sicherheitshinweise (S)	26-36/37/39-45
Gefahrenklasse	8Acute Tox. 3 DermalAcute Tox. 3 OralAquatic Acute 1Aquatic Chronic 1Eye Dam. 1Skin Corr. 1B
Verpackungsgruppe	III
Lagerklasse	6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Gefahrstoffdaten	2016-57-1(Hazardous Substances Data)

Anwendungen & Verwendung

Verwenden

1-Decylamine is a intermediate forming the phosphatidylcholine-decylamine liposomal membranes.