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Pentylamine

HCID 8060
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Basic information

CAS
110-58-7
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
FEMA NO. 4242NSC-7906DTXSID0021919CHEBI: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 · 2 items

Nitrogen Compounds -> Amines, Aliphatic

Corrosives

DrugsPharmaceuticals -> Listed in ZINC15
SpringerMaterials PropertiesBoiling point
LogP1.49
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density · 2 items

0.7547 (NTP, 1992) - Less dense than water; will float

0.750-0.759

Flavoring AgentsEU Flavoring substances
Solubility · 3 items

Very soluble (NTP, 1992)

Soluble in water

Soluble (in ethanol)

Flash Point45 °F (NTP, 1992)
Boiling Point · 3 items

219.9 °F at 760 mmHg (NTP, 1992)

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 · 6 items

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 · 5 items

Chemical: 1-Pentanamine

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

REACH registered substance: Pentylamine (EC: 203-780-2)

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 · 2 items

Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:

· Flammable/combustible material.

Health Hazards · 2 items

Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:

· May cause toxic effects if inhaled or ingested.

Hazards Summary · 1 item

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 · 3 items

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 · 4 items

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

Sodium azideHexanoic acid

Downstream products

Pentyl isocyanate

Related reactions

235 records
New reaction record
HRID 11432 reaction equation
HRID 11432As reactantuspto-grants-2006_08
HRID 53358 reaction equation
HRID 53358As reactantuspto-grants-1997_04
HRID 103836 reaction equation
HRID 103836As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 105179 reaction equation
HRID 105179As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 108666 reaction equation
HRID 108666As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 109992 reaction equation
HRID 109992As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 122051 reaction equation
HRID 122051As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 126095 reaction equation
HRID 126095As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
Page 1 of 30

Compound notes

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103 °C

104 °C @760 [mm Hg]

Melting Point-67 to -58 °F (NTP, 1992)
Vapor Density3.01 (NTP, 1992) - Heavier than air; will sink (Relative to Air)

Physicochemical properties

Melting point
55 °C; · −55 °C; −67 °F; 218 K
Boiling point
94 to · 94 to 110 °C; 201 to 230 °F; 367 to 383 K
Density
0.752 g · 0.752 g mL−1
vapor density
3.01 · 3.01 (vs air)
vapor pressure
120.9 hPa · 120.9 hPa (47 °C)
FEMA
4242 · 4242 | PENTYLAMINE
refractive index
1.411 · 1.411
FLAVIS Number
11.021 · 11.021 | Pentylamine
Flash point
1 °C · 1 °C (34 °F; 274 K)
storage temp.
Flammables area
solubility
Soluble in alcohol, ether.
pka
10.63 · 10.63(at 25℃)
form
liquid
color
Colourless
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
JECFA Number
1585 · 1585
Merck
14 · 14,598
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
2921199090 · 2921199090
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)

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 · 1 item

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 · 4 items

Flam. Liq. 2 (100%)

Flam. Liq. 2 (100%)

Flam. Liq. 2 (100%)

Corrosives, Flammable agents - 3rd degree

Lower Explosive Limit (LEL) · 2 items

2.2 % (NTP, 1992)

22000 [ppm]

Safety & protection

Fire FightingExcerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
Accidental Release Measures · 2 items

· 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 · 2 items

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 · 2 items

Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:

Immediate precautionary measure

Protective Action Criteria (PAC) · 3 items

1.3 [ppm]

14 [ppm]

86 [ppm]

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
2921199090
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
Tetrapentylammonium bromide
Pentyl isothiocyanate
2-Methylbutylamine

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.