Basic information
- Standard SMILES
CCCCCN- InChIKey
DPBLXKKOBLCELK-UHFFFAOYSA-N- Molecular formula
- C5H13N
- Average molar mass
- 87.16 g/mol
- Monoisotopic mass
- 87.10479942
Overview
N-amylamine appears as a clear colorless liquid with an ammonia-like odor. Irritates the eyes and respiratory system. Vapors are heavier than air. Produces toxic oxides of nitrogen during combustion. Used as a corrosion inhibitor, solvent, flotation agent and in the manufacture of other chemicals.
Names & identifiers
- Preferred name
- Pentylamine
- IUPAC
- pentan-1-amine
- English name
- Amylamine
- Molecular formula
- C5H13N
- Molecular weight
- 87.16
Names & synonyms
AmylaminePentylamine110-58-7pentan-1-amine1-Aminopentane1-PentylamineN-AMYLAMINE1-Pentanaminen-PentylamineMonoamylamineNorleucamineE05QM3V8EF
Show more names
PentylaminAMYLAMINESAmylaminAMINE C5
NSC-7906DTXSID0021919FEMA NO. 4242CHEBI:74848RefChem:171523DTXCID801919203-780-2932-628-4
Database identifiers
- CAS
110-58-7- PubChem CID
- 8060
- DTXSID
DTXSID0021919- ChEBI
CHEBI:74848- UNII
- E05QM3V8EF
- EC Number
- 203-780-2、932-628-4、935-734-9
- Nikkaji
- J1.978J
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 19.9
Experimental & physicochemical properties
Chemical Classes
Nitrogen Compounds -> Amines, Aliphatic
Corrosives
DrugsPharmaceuticals -> Listed in ZINC15
SpringerMaterials PropertiesBoiling point
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density
0.7547 (NTP, 1992) - Less dense than water; will float
0.750-0.759
Flavoring AgentsEU Flavoring substances
Solubility
Very soluble (NTP, 1992)
Soluble in water
Soluble (in ethanol)
Flash Point45 °F (NTP, 1992)
Boiling Point
219.9 °F at 760 mmHg (NTP, 1992)
103 °C
Melting Point-67 to -58 °F (NTP, 1992)
Vapor Density3.01 (NTP, 1992) - Heavier than air; will sink (Relative to Air)
Vapor Pressure91.0 [mmHg]
Physicochemical properties
- Melting point
- 55 °C · −55 °C(lit.)
- Boiling point
- 104 °C · 104 °C(lit.)
- Density
- 0.752 g/mL · 0.752 g/mL at 25 °C(lit.)
- vapor density
- 3.01 · 3.01 (vs air)
- vapor pressure
- 120.9 hPa · 120.9 hPa (47 °C)
- FEMA
- 4242 · 4242 | PENTYLAMINE
- refractive index
- 20 · n20/D 1.411(lit.)
- FLAVIS Number
- 11.021 · 11.021 | Pentylamine
- Flash point
- 42 °F · 42 °F
- storage temp.
- Flammables area
- solubility
- Soluble in alcohol, ether.
- pka
- 10.63 · 10.63(at 25℃)
- form
- Liquid
- color
- Clear colorless to very slightly yellow
- Odor
- 0.1 % · at 0.10 % in propylene glycol. ammoniacal fishy
- Odor Type
- fishy
- biological source
- synthetic
- explosive limit
- 2.2 · 2.2-22%(V)
- Water Solubility
- soluble
- Specific Heat Capacity
- 2.5 J/ · Cp(liquid): 2.5 J/(g·K), at 25℃
- Sensitive
- Air Sensitive
- Merck
- 14 · 14,598
- JECFA Number
- 1585 · 1585
- BRN
- 505953 · 505953
- Henry's Law Constant
- 4.3 · 4.3×10-1 mol/(m3Pa) at 25℃, Brockbank (2013)
- Dielectric constant
- 4.6 · 4.6(22℃)
- Major Application
- flavors and fragrances
- InChI
- 1S/C5H13N/c1-2-3-4-5-6/h2-6H2,1H3
- InChIKey
- DPBLXKKOBLCELK-UHFFFAOYSA-N
- SMILES
- CCCCCN
- LogP
- 1.49 · 1.49
- CAS DataBase Reference
- 110 · 110-58-7(CAS DataBase Reference)
- Substances Added to Food (formerly EAFUS)
- PENTYLAMINE
- EWG's Food Scores
- 2 · 2
- FDA UNII
- 5 QM3V8EF · E05QM3V8EF
- NIST Chemistry Reference
- 1 · 1-Pentanamine(110-58-7)
- EPA Substance Registry System
- Amylamine (110-58-7)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302+H312+H332-H314-H402-H225
- Precautionary statements
- 501 · P501-P273-P270-P240-P261-P210-P233-P243-P241-P242-P271-P264-P280-P370+P378-P362+P364-P303+P361+P353-P301+P330+P331-P301+P312+P330-P304+P340+P310-P305+P351+P338+P310-P403+P235-P405
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- Hazard Codes
- F,C
- Risk Statements
- 11 · 11-22-34-42/43-20/21/22-52/53
- Safety Statements
- 16 · 16-26-36/37/39-45-33-61
- RIDADR
- 1106 · UN 1106 3/PG II/III (AMYLAMINE)
- WGK Germany
- 3 · 3
- RTECS
- 300000 · SC0300000
- F
- 34 · 34
- Autoignition Temperature
- 305 °C · 305 °C
- TSCA
- TSCA listed
- HazardClass
- 3 · 3
- PackingGroup
- II
- HS Code
- 29211990 · 29211990
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 4 DermalAcute · Acute Tox. 4 DermalAcute Tox. 4 OralAquatic Chronic 3Eye Dam. 1Flam. Liq. 2Skin Corr. 1B
- Toxicity
- 50 orally · LD50 orally in Rabbit: 470 mg/kg LD50 dermal Rabbit 1120 mg/kg
- REACH Registrations
- Active
- Limited Quantities
- 1 L · 1.0 L (0.3 gallon) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Safety & regulation
GHS classification
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, 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 171 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
Hazard information
Regulatory Information
Chemical: 1-Pentanamine
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Status: Active Update: 09-02-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/11243
Amylamine: Does not have an individual approval but may be used under an appropriate group standard
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.)
DOT LabelFlammable Liquid Corrosive
Fire Hazards
Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
· Flammable/combustible material.
Health Hazards
Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
· May cause toxic effects if inhaled or ingested.
Hazards Summary
Corrosive to skin; [Quick CPC] A severe irritant; [NTP] Safe when used as a flavoring agent in food; [JECFA] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Harmful by ingestion, inhalation, and skin absorption; [Alfa Aesar MSDS]
DOT ID and Guide1106 132
Reactive GroupAmines, Phosphines, and Pyridines
Reactivity AlertsHighly Flammable
Reactivity Profile
N-AMYLAMINE is an amine. Amines are chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides. Can react with oxidizing materials. [NTP 1992].
Air and Water ReactionsHighly flammable. Less dense than water and soluble in water.
Hazard Classes and Categories
Flam. Liq. 2 (100%)
Flam. Liq. 2 (100%)
Flam. Liq. 2 (100%)
Corrosives, Flammable agents - 3rd degree
Lower Explosive Limit (LEL)
2.2 % (NTP, 1992)
22000 [ppm]
Safety & protection
Fire FightingExcerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
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:
Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).
Nonfire Spill ResponseExcerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
Isolation and Evacuation
Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
Immediate precautionary measure
Protective Action Criteria (PAC)
1.3 [mg/m3]
14 [mg/m3]
86 [mg/m3]
Personal Protective Equipment (PPE)Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
Emergency Response Planning Guidelines· Some of these materials may react violently with water.
Toxicology
Adverse EffectsDermatotoxin - Skin burns.
Toxicity DataLCLo (rat) = 2,000 ppm/4hr
Safety data
- F
- 34
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- SC0300000
- ridadr
- UN 1106 3/PG II/III (AMYLAMINE)
- hs_code
- 29211990
- Toxicity
- LD50 orally in Rabbit: 470 mg/kg LD50 dermal Rabbit 1120 mg/kg
- risk_code
- 11-22-34-42/43-20/21/22-52/53
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05,GHS07
- hazard_code
- F,C
- safety_code
- 16-26-36/37/39-45-33-61
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- II
- Hazard statements
- H302+H312+H332-H314-H402-H225
- Limited Quantities
- 1.0 L (0.3 gallon) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 OralAquatic Chronic 3Eye Dam. 1Flam. Liq. 2Skin Corr. 1B
- Autoignition Temperature
- 305 °C
- Precautionary statements
- P501-P273-P270-P240-P261-P210-P233-P243-P241-P242-P271-P264-P280-P370+P378-P362+P364-P303+P361+P353-P301+P330+P331-P301+P312+P330-P304+P340+P310-P305+P351+P338+P310-P403+P235-P405
Chemistry & industry
Uses & manufacturing
UsesUsed as a chemical intermediate, solvent, gasoline additive, and in corrosion inhibitors, dyestuffs, flotation agents, rubber chemicals, insecticides, and pharmaceuticals; [NTP]
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information1-Pentanamine: ACTIVE
Applications
Uses1-Pentylamine is a useful reactant in organic synthesis.
UsesAmylamine is a general reagent used in functionalizing the target molecules with pentyl chain. It has also been used as a cosurfactant to increase the phase stability of the bilayer systems.
UsesChemical intermediate, dyestuffs, rubber chemicals, insecticides, synthetic detergents, flotation agents, corrosion inhibitors, solvent, gasoline additive, pharmaceuticals.
General DescriptionA clear colorless liquid with an ammonia-like odor. Flash point 30°F. Irritates the eyes and respiratory system. Vapors are heavier than air. Produces toxic oxides of nitrogen during combustion. Used as a corrosion inhibitor, solvent, flotation agent and in the manufacture of other chemicals.
Upstream & downstream products
Upstream raw materials
Downstream products
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Additional notes
DefinitionChEBI: Pentan-1-amine is a primary aliphatic amine that is n-pentane in which a hydrogen of one of the methyl groups is replaced by an amino group. A water-soluble liquid with boiling point 104℃, it is a strong irritant.
Related reactions
235 records
Linked notes
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