Octylamine (HCID 8143)

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 properties

XLogP: 3.1
Topological polar surface area: 26 Å²
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 · 3 items

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: 5 · −5-−1 °C(lit.)
Boiling point: 175 · 175-177 °C(lit.)
Density: 0.782 g/mL · 0.782 g/mL at 25 °C(lit.)
vapor pressure: 1 mm · 1 mm Hg ( 20 °C)
refractive index: 20 · n20/D 1.429(lit.)
Flash point: 145 °F · 145 °F
storage temp.: 30 °C · Store below +30°C.
solubility: 0.32 g/l · 0.32g/l
form: Liquid
pka: 10.65 · 10.65(at 25℃)
color: Clear
PH: 11.8 · 11.8 (100g/l, H2O, 25℃)
Odor: strong fishy ammonia-like odor
explosive limit: 1.6 · 1.6-8.2%(V)
Water Solubility: 0.2 g/L · 0.2 g/L (25 ºC)
BRN: 1679227 · 1679227
Henry's Law Constant: 2.2 · 2.2×10-1 mol/(m3Pa) at 25℃, Brockbank (2013)
Dielectric constant: 3.58 · 3.5800000000000001
InChI: 1S/C8H19N/c1-2-3-4-5-6-7-8-9/h2-9H2,1H3
InChIKey: IOQPZZOEVPZRBK-UHFFFAOYSA-N
SMILES: CCCCCCCCN
LogP: 3.46 at · 3.46 at 20℃
CAS DataBase Reference: 111 · 111-86-4(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 0 V8U4T67 · SF0V8U4T67
NIST Chemistry Reference: 1 · 1-Octanamine(111-86-4)
EPA Substance Registry System: Octylamine (111-86-4)
UNSPSC Code: 41116107 · 41116107
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02,GHS05,GHS06,GHS09
Signal word: Danger
Hazard statements: 226 · H226-H301+H311-H314-H332-H335-H410
Precautionary statements: 210 · P210-P273-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
target organs: Respiratory system
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes: C,N
Risk Statements: 34 · 34-50-35-20/21/22
Safety Statements: 26 · 26-36/37/39-45-61-29
RIDADR: 2735 · UN 2735 8/PG 2
WGK Germany: 2 · 2
RTECS: 8050000 · RG8050000
Autoignition Temperature: 265 °C · 265 °C
TSCA: TSCA listed
HazardClass: 8 · 8
PackingGroup: II
HS Code: 29211980 · 29211980
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 3 DermalAcute · Acute Tox. 3 DermalAcute Tox. 3 OralAcute Tox. 4 InhalationAquatic Acute 1Aquatic Chronic 2Eye Dam. 1Flam. Liq. 3Skin Corr. 1ASTOT SE 3
Toxicity: 50 orally · LD50 orally in Rabbit: > 250 mg/kg LD50 dermal Rabbit 200 - 2000 mg/kg
REACH Registrations: Active
Excepted Quantities: Not Permitted as Excepted Quantity

Safety & regulation

GHS classification

GHS Classification · 6 items

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 · 4 items

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 · 1 item

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]

Reactive GroupAmines, Phosphines, and Pyridines

Safety & protection

Fire FightingExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:

First AidExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:

Nonfire Spill ResponseExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:

Isolation and EvacuationExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:

Protective Action Criteria (PAC) · 3 items

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)]:

Toxicology

Adverse EffectsDermatotoxin - Skin burns.

Safety data

PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 2
tsca: TSCA listed
rtecs: RG8050000
ridadr: UN 2735 8/PG 2
hs_code: 29211980
Toxicity: LD50 orally in Rabbit: > 250 mg/kg LD50 dermal Rabbit 200 - 2000 mg/kg
risk_code: 34-50-35-20/21/22
Signal word: Danger
Symbol(GHS): GHS02,GHS05,GHS06,GHS09
hazard_code: C,N
safety_code: 26-36/37/39-45-61-29
hazard_class: 8
Storage Class: 3 - Flammable liquids
packing_group: II
target organs: Respiratory system
Hazard statements: H226-H301+H311-H314-H332-H335-H410
Excepted Quantities: Not Permitted as Excepted Quantity
REACH Registrations: Active
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 3 OralAcute Tox. 4 InhalationAquatic Acute 1Aquatic Chronic 2Eye Dam. 1Flam. Liq. 3Skin Corr. 1ASTOT SE 3
Autoignition Temperature: 265 °C
Precautionary statements: P210-P273-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338

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 · 2 items

Computer and Electronic Product Manufacturing

1-Octanamine: ACTIVE

Applications · 3 items

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.