Octylamin

N-OCTYLAMINE · 1-OCTANAMINE · AMINE C8 · Octanamine · 1-OCTYLAMINE · Octylamin · ocylamine · CAPRYLAMINE

Identifikatoren & physikalische Daten

CAS No.	111-86-4
Summenformel	C8H19N
Durchschnittliche Molmasse	129,24 g/mol
Monoisotopische Masse	129,15174961 g/mol
SMILES	CCCCCCCCN
InChIKey	IOQPZZOEVPZRBK-UHFFFAOYSA-N
PubChem CID	8143
ChEMBL	CHEMBL1160509
ChEBI	CHEBI:7728
EC No.	203-916-0
DTXSID	DTXSID8021939
Lokaler Name	Octylamin

Chemische & physikalische Eigenschaften

XLogP	3,1
Polarare Oberfläche (TPSA)	26
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	1
Frei drehbare Bindungen	6
Schwere Atome	9
Formalladung	0
Komplexität	43,8
Stoffklassen	Nitrogen Compounds -> Amines, Aliphatic
SpringerMaterials Properties	Boiling point
Dichte	0.779 @ 20°C0.782 g/mL at 25 °C(lit.)
Dampfdruck	0.96 [mmHg]1 mm Hg ( 20 °C)
Food Contact Substances	FCS -> FDA Cumulative Estimated Daily Intake (CEDI)
Physical Description	Octanamine appears as a yellow liquid with an ammonia-like odor. 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.Yellow liquid with an ammoniacal odor[CAMEO] Clear colorless liquid[Sigma-Aldrich MSDS]
Schmelzpunkt	−5-−1 °C(lit.)
Siedepunkt	175-177 °C(lit.)
Brechungsindex	n20/D 1.429(lit.)
Flammpunkt	145 °F
Lagerbedingungen	Store below +30°C.
Löslichkeit	0.32g/l0.2 g/L (25 ºC)
Aggregatzustand	Liquid
pKa (Säurekonstante)	10.65(at 25℃)
Farbe	Clear
pH	11.8 (100g/l, H2O, 25℃)
Geruch	strong fishy ammonia-like odor
Explosionsgrenze	1.6-8.2%(V)
BRN	1679227
Henry-Konstante	2.2×10-1 mol/(m3Pa) at 25℃, Brockbank (2013)
Dielektrizitätskonstante	3.5800000000000001
InChI	1S/C8H19N/c1-2-3-4-5-6-7-8-9/h2-9H2,1H3
InChIKey	IOQPZZOEVPZRBK-UHFFFAOYSA-N
SMILES	CCCCCCCCN
LogP (Verteilungskoeffizient)	3.46 at 20℃
CAS Datenbank	111-86-4(CAS DataBase Reference)
NIST chemische Informationen	1-Octanamine(111-86-4)
EPA chemische Informationen	Octylamine (111-86-4)

Sicherheit & Vorschriften

GHS-Einstufung	DangerH226 (95.9%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P361+P364, P362+P364, P363, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 790 reports by companies from 22 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H226: Flammable liquid and vapor [Warning Flammable liquids]
Regulatorische Informationen	Chemical: 1-Octanamine1-Octanamine is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Octanamine 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: 28-01-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/1996Octylamine: Does not have an individual approval but may be used under an appropriate group standard
DOT-Kennzeichnung	Corrosive
Brandgefahren	Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Gesundheitsgefahren	Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Gefahrenübersicht	A severe eye irritantCauses somnolence in dermal lethal-dose studies of rabbits[RTECS] Causes burnsInhalation may cause corrosive injuries to upper respiratory tractHarmful by ingestion, inhalation, and skin absorption[Sigma-Aldrich MSDS]
Reaktive Gruppe	Amines, Phosphines, and Pyridines
Reactivity Profile	OCTANAMINE 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.
Air and Water Reactions	Insoluble in water.
Hazard Classes and Categories	Flam. Liq. 3 (95.9%)Flammable liquids - Category 3
Brandbekämpfung	Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Erste Hilfe	Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Freisetung ohne Brand	Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Isolation and Evacuation	Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Protective Action Criteria (PAC)	1.1 [mg/m3]12 [mg/m3]71 [mg/m3]
Personal Protective Equipment (PPE)	Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Unerwünschte Wirkungen	Dermatotoxin - Skin burns.
Wassergefährdungsklasse (WGK)	2
TSCA-Inventar-Status	TSCA listed
UN-Transportnummer	UN 2735 8/PG 2
Zollcode	29211980
RTECS-Nr.	RG8050000
R-Sätze (R)	34-50-35-20/21/22
Toxizität	LD50 orally in Rabbit: > 250 mg/kg LD50 dermal Rabbit 200 - 2000 mg/kg
Gefahrensymbole	C,N
Sicherheitshinweise (S)	26-36/37/39-45-61-29
Gefahrenklasse	8Acute Tox. 3 DermalAcute Tox. 3 OralAcute Tox. 4 InhalationAquatic Acute 1Aquatic Chronic 2Eye Dam. 1Flam. Liq. 3Skin Corr. 1ASTOT SE 3
Verpackungsgruppe	II
Lagerklasse	3 - Flammable liquids
Selbstentzündungstemperatur	265 °C

Anwendungen & Verwendung

Verwenden

1-Octylamine is used as a precursor to prepare chemicals. It finds application in functional fluids and as a laboratory reagent. Further, it is used as a reactant in the preparation of 2H-indazoles and 1H-indazolones, which are used as myeloperoxidase(MPO) inhibitors.