Encyclopedia / Agrochemicals & Pesticides / Pharmaceutical Intermediates / Organic Intermediate

Octylamine

CAS：111-86-4
MW:129.247
MF：C8H19N

Octylamine, with the chemical formula C8H19N and CAS registry number 111-86-4, is a compound commonly utilized as an intermediate in organic synthesis, particularly in the production of pharmaceuticals, pesticides, and surfactants. This 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., also known as 1-Aminooctane, is characterized by its eight-carbon alkyl chain attached to an amino group. Octylamine finds applications in various industries, including agriculture, pharmaceuticals, and personal care products. It serves as a building block in the synthesis of diverse organic compounds and is valued for its role as a solvent and chemical intermediate. Octylamine's properties make it a versatile compound with wide-ranging industrial and commercial uses.

View more+

Email Tweet Share

Names and ldentifier
Properties
Use and Manufacturing
Safety and Handling
Msds
NMR Spectrum
Other Information
Computational chemical data
Related Questions
Realated Product Infomation

1. Names and Identifiers

1.1 Name: Octylamine

1.2 Synonyms: 1-Aminooctan; 1-AMINOOCTANE; 1-Octanamine; 1-octylamine; 4-04-00-00751; 6-Nitrobenzoyleneurea; Amine 8 D; Armeen 8; Armeen 8d; CAPRYLAMINE; Caprylylamine; EINECS 203-916-0; MFCD00008247; mononitrobenzoylurea; mono-n-octyl amine; N-n-octylamine; n-octyl amine; N-OCTYLAMINE; Octan-1-amine; UNII-SF0V8U4T67;

View all

1.3 CAS No.: 111-86-4

1.4 CID: 8143

1.5 EINECS: 203-916-0

1.6 Molecular Formula: C8H19N

1.7 Inchi: InChI=1S/C8H19N/c1-2-3-4-5-6-7-8-9/h2-9H2,1H3

1.8 InChkey: IOQPZZOEVPZRBK-UHFFFAOYSA-N

1.9 Canonical Smiles: CCCCCCCCN

1.10 Isomers Smiles: CCCCCCCCN

2. Properties

2.1 Solubility: 0.32g/l

2.2 Appearance: clear liquid with an ammonia-like odor

2.3 Storage: Air Sensitive. Ambient temperatures.

2.4 Chemical Properties: CLEAR LIQUID

2.5 Color/Form: Clear

2.6 PH: 11.8 (100g/l, H2O, 25℃)

2.7 pKa: 10.65(at 25℃)

2.8 Water Solubility: 0.2 g/L (25 oC)

2.9 Stability: Stable under normal temperatures and pressures.

2.10 StorageTemp: Store below +30°C.

3. Use and Manufacturing

3.1 Definition: ChEBI: An 8-carbon primary aliphatic amine.

3.2 Description: Octylamine (CAS 111-86-4) is a colorless to pale yellow liquid with a strong odor. It has a basic structure consisting of an octyl group (C8H17) attached to an amino group (NH2). Octylamine is soluble in organic solvents such as ethanol and ether, but has limited solubility in water. It has a boiling point of 169-171°C and a density of 0.79 g/mL. This chemical is flammable and may form explosive mixtures with air. It reacts with strong oxidizing agents and acids.

Applicable Fields
Octylamine has various applications in different fields:

Pharmaceutical Industry: Octylamine is used as an intermediate in the synthesis of pharmaceutical compounds. It can be used as a building block for the production of drugs, such as local anesthetics and antihistamines.

Chemical Industry: In the chemical industry, octylamine is utilized as a raw material for the production of various chemicals. It can be used in the synthesis of surfactants, corrosion inhibitors, and agricultural chemicals.

Adhesive Industry: Octylamine is used as a curing agent in the production of adhesives. It helps in the cross-linking of polymers, providing strength and durability to the adhesive.

Storage Conditions
Store in a cool, dry place.

View all

3.3 General Description: 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.

3.4 Produe Method: Specific useswere not located in the literature. 1-Octylamine ismanufactured under the tradenameArmeen8D(Armak).

3.5 Usage: Used to make other chemicals.

4. Safety and Handling

4.1 Fire Hazard: Combustible material: 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. Substance may be transported in a molten form. OctylamineSupplier

View all

4.2 Report: Reported in EPA TSCA Inventory.

4.3 Safety: Hazard Codes:?C,?N
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.

View all

4.4 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.

View all

4.5 Toxicity

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 .

View all

5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Flammable liquids, Category 3

Acute toxicity - Oral, Category 3

Acute toxicity - Dermal, Category 3

Skin corrosion, Category 1A

Serious eye damage, Category 1

Acute toxicity - Inhalation, Category 4

Specific target organ toxicity \u2013 single exposure, Category 3

Hazardous to the aquatic environment, short-term (Acute) - Category Acute 1

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Danger
Hazard statement(s)	H226 Flammable liquid and vapour H301 Toxic if swallowed H311 Toxic in contact with skin H314 Causes severe skin burns and eye damage H332 Harmful if inhaled H335 May cause respiratory irritation H400 Very toxic to aquatic life H411 Toxic to aquatic life with long lasting effects
Precautionary statement(s)
Prevention	P210 Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking. P233 Keep container tightly closed. P240 Ground and bond container and receiving equipment. P241 Use explosion-proof [electrical/ventilating/lighting/...] equipment. P242 Use non-sparking tools. P243 Take action to prevent static discharges. P280 Wear protective gloves/protective clothing/eye protection/face protection. P264 Wash ... thoroughly after handling. P270 Do not eat, drink or smoke when using this product. P260 Do not breathe dust/fume/gas/mist/vapours/spray. P261 Avoid breathing dust/fume/gas/mist/vapours/spray. P271 Use only outdoors or in a well-ventilated area. P273 Avoid release to the environment.
Response	P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower]. P370+P378 In case of fire: Use ... to extinguish. P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/\u2026 P321 Specific treatment (see ... on this label). P330 Rinse mouth. P302+P352 IF ON SKIN: Wash with plenty of water/... P312 Call a POISON CENTER/doctor/\u2026if you feel unwell. P361+P364 Take off immediately all contaminated clothing and wash it before reuse. P301+P330+P331 IF SWALLOWED: Rinse mouth. Do NOT induce vomiting. P363 Wash contaminated clothing before reuse. P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing. P310 Immediately call a POISON CENTER/doctor/\u2026 P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P391 Collect spillage.
Storage	P403+P235 Store in a well-ventilated place. Keep cool. P405 Store locked up. P403+P233 Store in a well-ventilated place. Keep container tightly closed.
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

View all

6. NMR Spectrum

13C NMR : in CDCl3

13C NMR : Predict

1H NMR : 90 MHz in CDCl3

1H NMR : Predict

Predict 1H proton NMR

IR : CCl4 solution

IR : liquid film

Raman : 4880 A,200 M,liquid

Mass

Mass spectrum (electron ionization)

7. Synthesis Route

111-86-4Total: 59 Synthesis Route

111-66-0 32 Suppliers

111-86-4 182 Suppliers

629-01-6 8 Suppliers

111-86-4 182 Suppliers

View all

8. Precursor and Product

precursor:

629-01-6

124-13-0

629-37-8

629-27-6

111-85-3

111-66-0

111-83-1

124-12-9

111-67-1

111-87-5

product:

463-11-6

629-01-6

629-37-8

929-55-5

929-56-6

111-83-1

124-12-9

142-95-0

111-67-1

112-14-1

9. Computed Properties

Molecular Weight：129.247g/mol
Molecular Formula：C₈H₁₉N
Compound Is Canonicalized：True
XLogP3-AA：129.151749610
Monoisotopic Mass：129.151749610
Complexity：43.8
Rotatable Bond Count：6
Hydrogen Bond Donor Count：1
Hydrogen Bond Acceptor Count：1
Topological Polar Surface Area：26
Heavy Atom Count：：9
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADceByAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHAAQAAAACADBAAQCAABAAAAAAAAAAAAAAAAAAAAAAIAAAAAAAAIAgAAAAAAAEAAAAAEQgIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

10.Other Information

Usage: 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.

BRN: 1679227

Chemical Properties: CLEAR LIQUID

Uses

Octylamine is mainly used to synthesize amphiphilic copolymers for polymer coating of quantum dots (QDs) to make them water-soluble.
Other applications:

Synthesis of 2-cyano-N-octylacetamide by reacting with ethyl cyanoacetate.
To induce uniformity for synthesizing uniform ultrathin metal sulfide nanostructures.

View all

11. Toltal 169 Suppliers View more

SHANDONG PAINI NEW MATERIAL CO.,LTD

^1YR

Tel:86-533-6723994 Update Time:2024/09/02

inquire

Hebei Saisier Technology Co., LTD

^1YR

Tel: Update Time:2024/11/15

inquire

Hebei Yanxi Chemical Co.,Ltd

^1YR

Tel: Update Time:2024/11/14

inquire

China factory supply Octylamine CAS 111-86-4

Hebei Crovell Biotech Co. Ltd

^1YR

Tel: Update Time:2024/11/15

inquire

High Purity Octylamine Price CAS 111-86-4

Hebei Mojin Biotechnology Co.,Ltd

^1YR

Tel: Update Time:2024/11/15

inquire

Amitychem Corporation

^1YR

Tel: Update Time:2023/06/28

inquire

12. Related Questions

: What is Octylamine and its Uses?Octylamine, also known as 1-octylamine, is an organic compound that belongs to the class of primary amines. Its chemical formula is C8H19N. Applications Octylamine is commonly used as a surfactant and..; What is a synthetic method for Octylamine?Background technology Fatty amines and their derivatives are a very important class of chemical raw materials. They are widely used in many fields such as pesticides, medicines, petrochemicals, and da..; What are the properties and uses of Octylamine?[Background and Overview][1][2][3] Fatty amines are a very important chemical raw material and are widely used in various fields of industrial production. The chemical properties of fatty amines are r..

13. Realated Product Infomation