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111-86-4

Basic Information
CAS No.: 111-86-4
Name: Octylamine
Molecular Structure:
Molecular Structure of 111-86-4 (Octylamine)
Formula: C8H19N
Molecular Weight: 129.28
Synonyms: Octylamine(8CI);1-Aminooctane;1-Octylamine;Amine OD;Armeen 8;Armeen 8D;Caprylamine;Caprylylamine;Farmin 08D;Genamin 8R;Monooctylamine;NSC 9824;Octan-1-amine;Octanamine;n-Octylamine;
EINECS: 203-916-0
Density: 0.786 g/cm3
Melting Point: -5 - -1 °C(lit.)
Boiling Point: 179.4 °C at 760 mmHg
Flash Point: 62.8 °C
Solubility: 0.2 g/L (25 °C) in water
Appearance: clear liquid with an ammonia-like odor
Hazard Symbols: CorrosiveC,DangerousN
Risk Codes: 34-50-35-20/21/22
Safety: 26-36/37/39-45-61-29
Transport Information: UN 2735 8/PG 2
PSA: 26.02000
LogP: 3.00590
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Chemistry

 Molecule structure of Octylamine (CAS NO.111-86-4):

IUPAC Name: Octan-1-amine 
Molecular Weight: 129.24316 g/mol
Molecular Formula: C8H19
Density: 0.786 g/cm3 
Melting Point: −5-−1 °C(lit.)
Boiling Point: 179.4 °C at 760 mmHg 
Flash Point: 62.8 °C
Index of Refraction: 1.432
Molar Refractivity: 42.64 cm3
Molar Volume: 164.2 cm3
Surface Tension: 28.4 dyne/cm 
Enthalpy of Vaporization: 41.57 kJ/mol
Vapour Pressure: 0.941 mmHg at 25 °C 
Water Solubility: 0.2 g/L (25 °C)
XLogP3: 3.1
H-Bond Donor: 1
H-Bond Acceptor: 1
Rotatable Bond Count: 6
Exact Mass: 129.15175
MonoIsotopic Mass: 129.15175
Topological Polar Surface Area: 26
Heavy Atom Count: 9
Canonical SMILES: CCCCCCCCN
InChI: InChI=1S/C8H19N/c1-2-3-4-5-6-7-8-9/h2-9H2,1H3
InChIKey: IOQPZZOEVPZRBK-UHFFFAOYSA-N
EINECS: 203-916-0
Product Categories: Alkylamines; Monofunctional & alpha,omega-Bifunctional Alkanes; Monofunctional Alkanes

Uses

 Octylamine (CAS NO.111-86-4) is used as intermediate of pesticide, surfactant, pharmaceutical synthesis. It is also used in organic synthesis.

Toxicity Data With Reference

1.    

eye-rbt 100 mg/24H SEV

    EPASR*    United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. (U.S. Environmental Protection Agency, 401M St., S.W., Washington, DC 20460) History Unknown 8EHQ-1085-0569 .
2.    

orl-rat LDLo:50 mg/kg

    EPASR*    United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. (U.S. Environmental Protection Agency, 401M St., S.W., Washington, DC 20460) History Unknown 8EHQ-1085-0569 .
3.    

ipr-mus LD50:100 mg/kg

    NTIS**    National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) AD691-490 .

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Hazard Codes: CorrosiveC, DangerousN
Risk Statements: 34-50-35-20/21/22 
R34:Causes burns. 
R50:Very toxic to aquatic organisms. 
R35:Causes severe burns. 
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 26-36/37/39-45-61-29 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection. 
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) 
S61:Avoid release to the environment. Refer to special instructions / safety data sheets. 
S29:Do not empty into drains.
RIDADR: UN 2735 8/PG 2
WGK Germany: 2
RTECS: RG8050000
HazardClass: 8
PackingGroup: II
HS Code 29211980
Poison by ingestion and intraperitoneal routes. Administration to humans has caused headache, fall in blood pressure, rapid pulse, urticaria, and itching of skin due to release of histamine. An eye irritant. Flammable liquid when exposed to heat or flame, can react with oxidizing materials. To fight fire, use alcohol foam, dry chemical. Incompatible with oxidizing materials. See also AMINES and AMINES, FATTY.

Specification

 Octylamine (CAS NO.111-86-4) is also named as 1-Aminooctane ; 1-Octylamine ; 4-04-00-00751 (Beilstein Handbook Reference) ; AI3-11522 ; Armeen 8 ; Armeen 8D ; BRN 1679227 ; Caprylamine ; Caprylylamine ; NSC 9824 ; n-Octylamine ; n-Octylamine, mono- . Octylamine (CAS NO.111-86-4) is clear liquid with an ammonia-like odor.It is iInsoluble in water and less dense than water. Contact may irritate skin, eyes and mucous membranes. May be toxic by ingestion. Octylamine 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. Inhalation, ingestion or skin contact with material may cause severe injury or death. Contact with molten substance may cause severe burns to skin and eyes. Avoid any skin contact. Effects of contact or inhalation may be delayed. Fire may produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause pollution. It may burn but does not ignite readily. When heated, vapors may form explosive mixtures with air: indoors, outdoors and sewers explosion hazards. Contact with metals may evolve flammable hydrogen gas. Containers may explode when heated. Runoff may pollute waterways. Octylamine may be transported in a molten form.