Octylamine
Completing data — refresh the page later to see the latest
Basic information
- CAS
111-86-4- Standard SMILES
CCCCCCCCN- InChIKey
IOQPZZOEVPZRBK-UHFFFAOYSA-N- Molecular formula
- C8H19N
- Average molar mass
- 129.24 g/mol
- Monoisotopic mass
- 129.15174961
Overview
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.
Names & identifiers
- Preferred name
- Octylamine
- IUPAC
- octan-1-amine
- English name
- Octylamine
- Molecular formula
- C8H19N
- Molecular weight
- 129.24
Names & synonyms
Octylamineoctan-1-amineN-OCTYLAMINE111-86-41-Aminooctane1-Octanamine1-OctylamineCaprylamineCaprylylamineOctanamineArmeen 8Armeen 8D
Show more names
AMINE C8Octylaminocylaminearmeen8
MonoctylamineDTXSID8021939SF0V8U4T67GENAMIN 8RNSC-9824CHEBI:7728DTXCID401939RefChem:167904
Database identifiers
- CAS
111-86-4、68037-94-5- PubChem CID
- 8143
- DTXSID
DTXSID8021939- ChEMBL
CHEMBL1160509- ChEBI
CHEBI:7728- UNII
- SF0V8U4T67
- EC Number
- 203-916-0
- Nikkaji
- J5.115B
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 43.8
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Amines, Aliphatic
SpringerMaterials PropertiesBoiling point
Density0.779 @ 20°C
Vapor Pressure0.96 [mmHg]
Food Contact SubstancesFCS -> 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.
Liquid
Yellow liquid with an ammoniacal odor; [CAMEO] Clear colorless liquid; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- -1 °C · -1 °C
- Boiling point
- 176 °C · 176 °C
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H226 (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.
Danger
H226: Flammable liquid and vapor [Warning Flammable liquids]
Hazard information
Regulatory Information
Chemical: 1-Octanamine
1-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/1996
Octylamine: Does not have an individual approval but may be used under an appropriate group standard
DOT LabelCorrosive
Fire HazardsExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Health HazardsExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Hazards Summary
A severe eye irritant; Causes somnolence in dermal lethal-dose studies of rabbits; [RTECS] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract; Harmful by ingestion, inhalation, and skin absorption; [Sigma-Aldrich MSDS]
Chemistry & industry
Uses & manufacturing
UsesUsed to make other chemicals; [CAMEO] Used to make large scale and fine chemicals, in functional fluids, and as a laboratory reagent; [ExPub: ECHA REACH Registrations]
U.S. Production2023: 1,000,000 - <2,500,000 lb
Consumer UsesLubricating agent
Industry UsesIntermediate
General Manufacturing Information
Computer and Electronic Product Manufacturing
1-Octanamine: ACTIVE
Applications
Uses1-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.
UsesOctylamine 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.
General DescriptionA 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.
Upstream & downstream products
Upstream raw materials
Related reactions
215 records
Compound notes
Loading…