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Decylamin

Decylamine

HCID 8916
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Grundinformationen

CAS
2016-57-1
Standard-SMILES
CCCCCCCCCCN
InChIKey
MHZGKXUYDGKKIU-UHFFFAOYSA-N
Summenformel
C10H23N
Durchschnittliche Molmasse
157,3 g/mol
Monoisotopische Masse
157,18304974

Überblick

Decylamine is an alkylamine.

Namen und Bezeichner

Bevorzugter Name
Decylamine
IUPAC
decan-1-amine
Lokaler Name
Decylamin
Englischer Name
Decylamine
Summenformel
C10H23N
Molmasse
157.3

Namen und Synonyme

Decylaminedecan-1-amine2016-57-11-DecanamineMonodecylamineKemamine P 190DAminodecaneDTXSID2022171M9KKQ6ZZG9DTXCID902171RefChem:131384217-957-7
Weitere Namen anzeigen
DecylaminAMINE C10DECYLAMIDE
1-Aminodecane1-DecylamineN-DECYLAMINEDecanamineMFCD00008149Amine 10n-C10H21NH2CHEMBL109819

Datenbank-Bezeichner

CAS
2016-57-1
PubChem CID
8916
DTXSID
DTXSID2022171
ChEMBL
CHEMBL109819
ChEBI
CHEBI:166481
UNII
M9KKQ6ZZG9
EC Number
217-957-7
Nikkaji
J7.849B

Eigenschaften

Berechnete StruktureigenschaftenWird ergänzt

XLogP
4,2
Polarare Oberfläche (TPSA)
26 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
8
Schwere Atome
11
Formalladung
0
Komplexität
61,9

Experimentelle und physikochemische Eigenschaften

Chemical Classes · 2 Einträge

Nitrogen Compounds -> Amines, Aliphatic

Industrial compound

SpringerMaterials PropertiesBoiling point
LogPlog Kow = 1.92
OdorAmine odor
Density0.73
Color/Form · 2 Einträge

Liquid

Water-white liquid

SolubilityIn water, 5.5X10+2 mg/L at 25 °C
Boiling Point220.5 °C
Melting Point17 °C
Vapor Density5.5 (Air = 1)
Vapor Pressure · 2 Einträge

0.1 [mmHg]

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

GHS-Klassifizierung

GHS Classification · 4 Einträge

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.

Gefahrenhinweise

Regulatory InformationChemical: 1-Decanamine
Hazards SummaryAn irritant; [Hawley] A corrosive substance that can cause injury to the skin, eyes, and respiratory tract; Inhalation may cause chemical pneumonitis and pulmonary edema; Readily absorbed through skin; [Aldrich MSDS]
Hazard Classes and CategoriesAcute Tox. 3 (100%)

Sicherheit und Schutzausrüstung

Disposal Methods · 1 Eintrag

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.

Toxikologische Informationen

Chemie und Industrie

Verwendung und Herstellung

Uses · 4 Einträge

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

General Manufacturing Information1-Decanamine: ACTIVE

Anwendungen

Verwenden1-Decylamine is a intermediate forming the phosphatidylcholine-decylamine liposomal membranes.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

Silica gelDecansureAluminium, Verbindung mit Nickel (1:1)TridecylaminDecannitrilDidecylamin

Nachgelagerte Produkte

DecanamideN-Methyldidecylamin2-Pyrimidinamine, N-(1-methylethyl)- (9CI)Decyl isothiocyanate

Zugehörige Reaktionen

84
Reaktionsaufzeichnung erstellen
Reaktionsgleichung von HRID 66618
HRID 66618als Eduktuspto-grants-1982_08
Reaktionsgleichung von HRID 66619
HRID 66619als Eduktuspto-grants-1982_08
Reaktionsgleichung von HRID 66815
HRID 66815als Eduktuspto-grants-1982_08
Reaktionsgleichung von HRID 128895
HRID 128895als Eduktuspto-grants-1995_11
Reaktionsgleichung von HRID 129360
HRID 129360als Eduktuspto-grants-1995_11
Reaktionsgleichung von HRID 176712
HRID 176712als EduktTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaktionsgleichung von HRID 194629
HRID 194629als EduktTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaktionsgleichung von HRID 208875
HRID 208875als EduktTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
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0.1 mm Hg at 25 °C

Refractive IndexIndex of refraction = 1.437 at 20 °C

Physikochemische Eigenschaften

Schmelzpunkt
12 · 12-14 °C(lit.)
Siedepunkt
216 · 216-218 °C(lit.)
Dichte
0.787 g/mL · 0.787 g/mL at 25 °C(lit.)
Brechungsindex
20 · n20/D 1.436(lit.)
Flammpunkt
186 °F · 186 °F
storage temp.
room temp
Löslichkeit
Chloroform, Ethyl Acetate
Aggregatzustand
Liquid
pka
10.64 · 10.64(at 25℃)
Farbe
Clear colorless to yellow or brown
BRN
1735220 · 1735220
Henry's Law Constant
2.6 · 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 · 2016-57-1(CAS DataBase Reference)
NIST chemische Informationen
1 · 1-Decanamine(2016-57-1)
EPA chemische Informationen
Decylamine (2016-57-1)
Environmental Fate · 3 Einträge

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).

Adverse EffectsDermatotoxin - Skin burns.
Effluent Concentrations · 1 Eintrag

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 · 1 Eintrag

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 · 1 Eintrag

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 · 1 Eintrag

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 · 1 Eintrag

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 · 1 Eintrag

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 · 1 Eintrag

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 · 1 Eintrag

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 · 1 Eintrag

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)

Sicherheitsdaten

F
10-34
wgk
2
tsca
TSCA listed
ridadr
UN 2922 8/PG 3
hs_code
29211990
RTECS-Nr.
HD6475000
risk_code
22-24-34-20/22
hazard_code
T
safety_code
26-36/37/39-45
hazard_class
8
packing_group
III
Speicherklasse
6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Giftige Stoffe Daten
2016-57-1(Hazardous Substances Data)
Hazard Classifications
Acute Tox. 3 DermalAcute Tox. 3 OralAquatic Acute 1Aquatic Chronic 1Eye Dam. 1Skin Corr. 1B