Basic information
- CAS
104-75-6- Standard SMILES
CCCCC(CC)CN- InChIKey
LTHNHFOGQMKPOV-UHFFFAOYSA-N- Molecular formula
- C8H19N
- Average molar mass
- 129.24 g/mol
- Monoisotopic mass
- 129.15174961
Overview
2-ethylhexylamine appears as a water-white liquid with a fishlike odor. Less dense than water. Flash point 140 °F. Extremely irritating to skin and eyes. Vapors heavier than air. Used to make pharmaceuticals and other chemicals.
Names & identifiers
- Preferred name
- 2-Ethylhexylamine
- IUPAC
- 2-ethylhexan-1-amine
- English name
- 2-Ethylhexylamine
- Molecular formula
- C8H19N
- Molecular weight
- 129.24
Names & synonyms
Show more names
Database identifiers
- CAS
104-75-6- PubChem CID
- 7719
- DTXSID
DTXSID4025298- ChEMBL
CHEMBL1319257- UNII
- ER54Q9L9W3
- EC Number
- 203-233-8
- Nikkaji
- J47.019H
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 52.5
Experimental & physicochemical properties
Chemical Classes
Nitrogen Compounds -> Amines, Aliphatic
Corrosives
Vapor Pressure
1.2 mmHg at 68 °F (NTP, 1992)
1.2 [mmHg]
Physical Description
2-ethylhexylamine appears as a water-white liquid with a fishlike odor. Less dense than water. Flash point 140 °F. Extremely irritating to skin and eyes. Vapors heavier than air. Used to make pharmaceuticals and other chemicals.
Liquid
Colorless liquid with a fishy odor; [CAMEO] Colorless or light yellow liquid with an odor of amines; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- -76 °C · -76 °C
- Boiling point
- 169 °C · 169 °C(lit.)
- Density
- 0.789 g/mL · 0.789 g/mL at 25 °C(lit.)
- vapor pressure
- 1.2 mm · 1.2 mm Hg ( 20 °C)
- refractive index
- 20 · n20/D 1.431(lit.)
- Flash point
- 126 °F · 126 °F
- storage temp.
- Flammables area
- solubility
- 1.6 g/l · 1.6g/l
- form
- Liquid
- pka
- 10.75 · 10.75±0.10(Predicted)
- color
- Clear colorless
- explosive limit
- 1.6 · 1.6-7.7%(V)
- Water Solubility
- 2.5 g/L · 2.5 g/L (20 ºC)
- Sensitive
- Air Sensitive
- BRN
- 1209249 · 1209249
- Henry's Law Constant
- 1 · 1.0×10-1 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
- Stability
- Stable. Combustible. Incompatible with strong oxidizing agents.
- InChI
- 1S/C8H19N/c1-3-5-6-8(4-2)7-9/h8H,3-7,9H2,1-2H3
- InChIKey
- LTHNHFOGQMKPOV-UHFFFAOYSA-N
- SMILES
- CCCCC(CC)CN
- LogP
- 2.82 at · 2.82 at 20℃
- CAS DataBase Reference
- 104 · 104-75-6(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 54 Q9L9W3 · ER54Q9L9W3
- NIST Chemistry Reference
- 1 · 1-Hexanamine, 2-ethyl-(104-75-6)
- EPA Substance Registry System
- 2 · 2-Ethylhexylamine (104-75-6)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS05,GHS06
- Signal word
- Danger
- Hazard statements
- 311 · H311+H331-H302-H314-H412-H226
- Precautionary statements
- 501 · P501-P261-P273-P270-P240-P210-P233-P243-P241-P242-P271-P264-P280-P370+P378-P361+P364-P303+P361+P353-P301+P330+P331-P301+P312+P330-P304+P340+P310-P305+P351+P338+P310-P403+P233-P403+P235-P405
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- Hazard Codes
- T,C
- Risk Statements
- 10 · 10-21/22-23-34
- Safety Statements
- 26 · 26-36/37/39-45-16
- RIDADR
- 2276 · UN 2276
- WGK Germany
- 2 · 2
- RTECS
- 5250000 · MQ5250000
- Autoignition Temperature
- 563 °F · 563 °F
- TSCA
- TSCA listed
- HazardClass
- 3 · 3
- PackingGroup
- III
- HS Code
- 29211980 · 29211980
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 2 InhalationAcute · Acute Tox. 2 InhalationAcute Tox. 3 DermalAcute Tox. 4 OralEye Dam. 1Flam. Liq. 3Skin Corr. 1B
- REACH Registrations
- Active
- Limited Quantities
- 5 L · 5.0 L (1.3 gallons) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
GHS classification
GHS Classification
Danger
H226 (99.6%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P262, P264, P264+P265, P270, P271, P273, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P361+P364, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2941 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-Hexanamine, 2-ethyl-
1-Hexanamine, 2-ethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Hexanamine, 2-ethyl- 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: 07-11-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/1994
1-Hexanamine, 2-ethyl-: HSNO Approval: HSR001149 Approved with controls
The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
Fire Hazards
Special Hazards of Combustion Products: Carbon monoxide and/or carbon dioxide and toxic oxides of nitogen may be produced.
· Flammable/combustible material.
Health Hazards
INHALATION: High concentration of vapor will produce irritation of the respiratory tract and the lungs. Prolonged exposure may cause systemic effects. EYES: Contact with liquid may result in severe eye irritation. Exposure to concentrated vapor may result in corneal edema. SKIN: Contact with liquid may result in severe skin irritation, burns and possible skin absorption. INGESTION: May cause systemic poisoning. (USCG, 1999)
· May cause toxic effects if inhaled or ingested.
Hazards Summary
A severe eye and moderate to severe skin irritant; [RTECS] Highly irritating to skin and eyes; [CAMEO] A severe skin and eye irritant, with second-degree burns possible after a few minutes contact; High vapor concentrations cause respiratory tract and lung irritation, and may cause corneal edema; [CHRIS] A severe skin and mucous membrane irritant; [NTP] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Highly toxic by inhalation; Toxic by ingestion and skin absorption; [Sigma-Aldrich MSDS] See N-Ethyl cyclohexylamine.
Reactivity Profile
2-ETHYLHEXYLAMINE reacts with oxidizing materials (NTP, 1992). 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.
DOT Hazard Classification
2-Ethylhexylamine
UN2276
Class 3 Flammable and combustible liquid (49 eCFR § 173.120)
Class 3 Flammable and combustible liquid (49 eCFR § 173.120)
PG III: the degree of danger presented by the material is minor
Hazard Classes and Categories
Flam. Liq. 1 (99.6%)
Flammable liquids - Category 3
Corrosives, Flammable agents - 2nd degree
CSL Reaction Information
CSL00012
2-ETHYLHEXYLAMINE + 1-CHLORO-2-NITROBENZENE
Warning - This combination can cause a run-away exotherm that resulted in a chemical plant explosion.
Explosive
NITRO
User-Reported
Safety & protection
Accidental Release Measures
· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.
· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
General First Aid:
Isolation and Evacuation
Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
Immediate precautionary measure
Toxicology
Safety data
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- MQ5250000
- ridadr
- UN 2276
- hs_code
- 29211980
- risk_code
- 10-21/22-23-34
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05,GHS06
- hazard_code
- T,C
- safety_code
- 26-36/37/39-45-16
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- Hazard statements
- H311+H331-H302-H314-H412-H226
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 2 InhalationAcute Tox. 3 DermalAcute Tox. 4 OralEye Dam. 1Flam. Liq. 3Skin Corr. 1B
- Autoignition Temperature
- 563 °F
- Precautionary statements
- P501-P261-P273-P270-P240-P210-P233-P243-P241-P242-P271-P264-P280-P370+P378-P361+P364-P303+P361+P353-P301+P330+P331-P301+P312+P330-P304+P340+P310-P305+P351+P338+P310-P403+P233-P403+P235-P405
Chemistry & industry
Uses & manufacturing
General Manufacturing Information
Petroleum Lubricating Oil and Grease Manufacturing
1-Hexanamine, 2-ethyl-: ACTIVE
Applications
Description2-Ethylhexylamine is used as an intermediate to manufacture agricultural chemicals, rubber chemicals, pharmaceuticals, surfactants, polymerization auxiliaries, plastic additives, dyes, insecticides, flotation agents, corrosion inhibitors, paint additives, detergents, fuel additives, and lubricant additives1. Novel 2-Ethylhexylamine salt anionic monoazo dyes are very useful for dyeing solvents, printing inks or polymeric film-forming materials2.
Uses2-Ethylhexylamine is used in organic syntheses.
Uses2-Ethylhexylamine is used to make pharmaceuticals and other chemicals. It is used as beam material and surface active agent. It also involves in synthesis of aliphatic amines.
UsesSynthesis of detergents, rubber chemicals, oil additives, and insecticides.
General DescriptionA water-white liquid with a fishlike odor. Less dense than water. Flash point 140°F. Extremely irritating to skin and eyes. Vapors heavier than air. Used to make pharmaceuticals and other chemicals.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
Related reactions
Compound notes
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