Grundinformationen
- Standard-SMILES
CCCCCNCCCCC- InChIKey
JACMPVXHEARCBO-UHFFFAOYSA-N- Summenformel
- C10H23N
- Durchschnittliche Molmasse
- 157,3 g/mol
- Monoisotopische Masse
- 157,18304974
Überblick
Di-n-amylamine appears as a clear colorless liquid with an ammonia-like odor. Very slightly soluble in water. Less dense less than water. Vapors heavier than air. Difficult to ignite. Moderately toxic. Contact with liquid may cause a chemical burn. Vapors may irritate respiratory tract. Used in the manufacture of rubber, resins, and dyes.
Namen und Bezeichner
- Bevorzugter Name
- Dipentylamine
- IUPAC
- N-pentylpentan-1-amine
- Lokaler Name
- N-Pentyl-1-pentanamin
- Englischer Name
- Diamylamine
- Summenformel
- C10H23N
- Molmasse
- 157.3
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
2050-92-2- PubChem CID
- 16316
- DTXSID
DTXSID4024931- ChEMBL
CHEMBL1232240- UNII
- D67I8PN8UU
- EC Number
- 218-108-3
- Nikkaji
- J34.523G
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,4
- Polarare Oberfläche (TPSA)
- 12 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 8
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 53,9
Experimentelle und physikochemische Eigenschaften
Chemical Classes
Nitrogen Compounds -> Amines, Aliphatic
Corrosives
Density
0.7771 at 68 °F (NTP, 1992) - Less dense than water; will float
0.7771 @ 20 °C/4 °C
Relative density (water = 1): 0.8
0.777 @25 °C
Solubility
Slightly soluble (1-10 mg/ml) (NTP, 1992)
Sol in acetone; very sol in alcohol; miscible with ether; slightly sol in water
Solubility in water: none
Flash Point
124 °F (NTP, 1992)
124 °F (51 °C) (CLOSED CUP)
51 °C c.c.
Boiling Point
396 to 397 °F at 760 mmHg (NTP, 1992)
202.5 °C
202-203 °C
202.5 °C @760 [mm Hg]
Melting Point
-47 °F (NTP, 1992)
-7.85 °C
-44 °C
Vapor Density
5.4 (AIR= 1)
Relative vapor density (air = 1): 5.4
Vapor Pressure
0.15 [mmHg]
0.153 mm HG @ 25 °C
Vapor pressure, Pa at 20 °C: 40
0.153 [mm Hg] @25 °C
Physikochemische Eigenschaften
- Schmelzpunkt
- -44 °C · -44°C
- Siedepunkt
- 202 · 202-203 °C(lit.)
- Dichte
- 0.767 g/mL · 0.767 g/mL at 25 °C
- Dampfdichte
- 5.42 · 5.42 (vs air)
- Dampfdruck
- 0.3 mm · 0.3 mm Hg ( 20 °C)
- Brechungsindex
- 20 · n20/D 1.4258(lit.)
- Flammpunkt
- 157 °F · 157 °F
- pka
- 11.25 · 11.25±0.19(Predicted)
- Aggregatzustand
- clear liquid
- Farbe
- Colorless to Light yellow to Light orange
- Wichte
- 0.775 · 0.775 (25/4℃)
- Wasserlöslichkeit
- Slightly soluble (0.1-1 g/100 mL)
- BRN
- 906746 · 906746
- Henry's Law Constant
- 5.3 · 5.3×10-2 mol/(m3Pa) at 25℃, Yaws (2003)
- Dielectric constant
- 2.5 · 2.5
- Stabilität
- Stable, but air-sensitive. Flammable. Incompatible with oxidizing agents.
- InChI
- 1S/C10H23N/c1-3-5-7-9-11-10-8-6-4-2/h11H,3-10H2,1-2H3
- InChIKey
- JACMPVXHEARCBO-UHFFFAOYSA-N
- SMILES
- CCCCCNCCCCC
- CAS Datenbank
- 2050 · 2050-92-2(CAS DataBase Reference)
- NIST chemische Informationen
- 1 · 1-Pentanamine, N-pentyl-(2050-92-2)
- EPA chemische Informationen
- Diamylamine (2050-92-2)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H226 (40.3%): 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+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, 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 67 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
1-Pentanamine, N-pentyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Pentanamine, N-pentyl- 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)
1-Pentanamine, N-pentyl-: HSNO Approval: HSR001138 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
Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]:
· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.
Flammable. Gives off irritating or toxic fumes (or gases) in a fire. Above 51 °C explosive vapour/air mixtures may be formed.
Fire Potential
Flammable liquid when exposed to heat or flame ...
Combustible liquid.
Health Hazards
Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]:
· TOXIC; may be fatal if inhaled, ingested or absorbed through skin.
Hazards Summary
A corrosive substance that can cause injury to the skin, eyes, and respiratory tract; Can be absorbed through skin; Inhalation may cause pulmonary edema; May cause CNS effects; [ICSC] A respiratory tract irritant; May cause severe burns to skin and eyes; Corrosive to skin and eyes of rabbits; Emergency treatment: Corrosives-alkaline; [HSDB] A corrosive substance that can cause injury to the skin, eyes, and respiratory tract; Can be absorbed through skin; Inhalation may cause pulmonary edema; [CHEMINFO]
Reactivity Profile
DI-N-AMYLAMINE neutralizes acids to form salts plus water. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated in combination with strong reducing agents, such as hydrides.
Chemical Dangers
Decomposes on burning. This produces toxic and corrosive gases including nitrogen oxides. Reacts violently with oxidants, acids, acid chlorides, acid anhydrides and mercury. Attacks plastics, copper, copper alloys, aluminium, zinc, zinc alloys and galvanized surfaces. Solutions in water may attack glass.
Sicherheit und Schutzausrüstung
Fire Fighting
Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]:
Use water spray, powder, alcohol-resistant foam, carbon dioxide. In case of fire: keep drums, etc., cool by spraying with water.
First Aid Measures
Fresh air, rest. Half-upright position. Artificial respiration may be needed. Refer for medical attention.
Remove contaminated clothes. Rinse skin with plenty of water or shower. Refer for medical attention .
First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.
Rinse mouth. Do NOT induce vomiting. Give one or two glasses of water to drink. Rest. Refer for medical attention .
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:
Fire Fighting Procedures
USE DRY CHEMICAL, CARBON DIOXIDE, FOAM, OR WATER SPRAY. WATER MAY BE INEFFECTIVE. USE WATER SPRAY TO KEEP FIRE-EXPOSED CONTAINERS COOL. APPROACH FIRE FROM UPWIND TO AVOID HAZARDOUS VAPORS & TOXIC DECOMPOSITION PRODUCTS.
If material on fire or involved in fire: Do not extinguish fire unless flow can be stopped. Use water in flooding quantities as fog. Solid streams of water may be ineffective. Cool all affected containers with flooding quantities of water. Apply water from as far a distance as possible.
Disposal Methods
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
Spillage Disposal
Personal protection: chemical protection suit including self-contained breathing apparatus. Remove all ignition sources. Collect leaking and spilled liquid in sealable containers as far as possible. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations.
Preventive Measures
SRP: The scientific literature for the use of contact lenses in industry is conflicting. The benefit or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place.
If material not on fire and not involved in fire: Keep sparks, flames, and other sources of ignition away. Keep material out of water sources and sewers. Build dikes to contain flow as necessary. Attempt to stop leak if without undue personnel hazard. Use water spray to knock down vapors.
Personnel protection: Avoid breathing vapors. Keep upwind. Wear positive pressure self-contained breathing apparatus. Avoid bodily contact with the material. Wear appropriate chemical protective clothing. Do not handle broken packages unless wearing appropriate personal protective equipment. Wash away any material which may have contacted the body with copious amounts of water or soap and water.
Evacuation: If material leaking (not on fire) consider evacuation from downwind area based on amount of material spilled, location and weather conditions.
Toxikologische Informationen
Interactions
TREATMENT OF SECONDARY AMINES (SUCH AS DIPENTYLAMINE) WITH NITROUS ACID IN DIL AQUEOUS SOLN GAVE OPTIMUM YIELD OF NITROSAMINES BETWEEN PH 1 & 3, CORRESPONDING TO CONDITIONS IN HUMAN & ANIMAL STOMACH. SYNTHESIS OF NITROSAMINES IN STOMACH OF RATS WAS DEMONSTRATED WHEN DIET WAS SUPPLEMENTED WITH SODIUM NITRITE & SECONDARY AMINES OF LOW BASICITY. PRODUCTION OF MALIGNANT TUMORS THROUGH FORMATION OF NITROSAMINES IN STOMACH OCCURRED ONLY IF NITRITE WAS PRESENT IN STOMACH CONCOMITANTLY WITH SECONDARY AMINES WHICH READILY FORM CARCINOGENIC NITROSAMINES.
Environmental Fate
TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 1,800(SRC) from an estimated log Kow of 3.76(2) and a regression derived equation(3) indicates that dipentylamine is expected to have low mobility in soil(SRC). A pKa value of 11.16(4) indicates that the protonated form of dipentylamine will be the dominant species in moist soil surfaces and cations generally adsorb strongly to soils. Volatilization of dipentylamine from moist soil surfaces is not expected to be an important fate process since the cation will not volatilize. Dipentylamine is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 0.15 mm Hg at 25 °C(5). Screening biodegradation studies on other aliphatic amines(6-11) suggest that dipentylamine may biodegrade in soil(SRC).
AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 1,800(SRC) from an estimated log Kow of 3.76(2) and a regression derived equation(3) indicates that dipentylamine is expected to adsorb to suspended solids and sediment in water(SRC). A pKa value of 11.16(4) indicates that the protonated form of dipentylamine will be the predominant species in water. Volatilization from water surfaces is not expected to be important fate process(SRC) since the protonated form will not volatilize. According to a classification scheme(5), an estimated BCF of 156(SRC), from its log Kow(2) and a regression-derived equation(6), suggests the potential for bioconcentration in aquatic organisms is high(SRC). Screening biodegradation studies on other aliphatic amines(7-12) suggest that dipentylamine may biodegrade in water(SRC).
ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), dipentylamine, which has a vapor pressure of 0.15 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase dipentylamine is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 4 hours(SRC), from its rate constant of 9X10-11 cu cm/molecule-sec at 25 °C(3). Dipentylamine is not expected to directly photolyze due to the lack of absorption in the environmental UV spectrum(SRC).
Signs and Symptoms
Burning sensation. Cough. Headache. Nausea. Shortness of breath. Sore throat. Symptoms may be delayed.
Redness. Serious skin burns.
Redness. Blurred vision. Severe deep burns.
Shock or collapse. Further see Inhalation.
Soil Adsorption/Mobility
The Koc of dipentylamine was estimated as 1,800(SRC), using an estimated log Kow of 3.76(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that dipentylamine is expected to have low mobility in soil(SRC). The pKa of dipentylamine is 11.16(4), indicating that the protonated form will be the predominant species in moist soils and cations are expected to adsorb strongly to soil surfaces.
TSCA Test Submissions
The acute inhalation toxicity of diamylamine (2050-92-2) was evaluated in 6 groups of Sprague-Dawley rats (5/sex/group) exposed for 4 hours to diamylamine vapor in a environmental chamber at average metered concentrations of 43, 52, 60, 67, 75, and 82 ppm. All mortality occurred within 24 hours of exposure and an LC50 with 95% confidence limits calculated by the method of Litchfield and Wilcoxon was 66 (59-73) ppm. Among the decedents, tremors and clonic convulsions during exposure often heralded death; There were no other outward signs of pathology. During 14-week post-exposure observation, all but 4 females of the survivors gained weight. Examination of upper and lower respiratory tract, liver, heart, GI tract and kidneys from both study survivors and lethalities identified no gross pathology.
Dermal irritancy and corrosivity of di-amylamine (2050-92-2) was evaluated in 6 New Zealand White rabbits each administered three 0.5 mL dermal applications upon intact skin at 3 distinct sites. The semi-occlusive bindings covering the 3 applications were removed and the skin cleansed of any residual test article at 3-minute, 1-hour, and 2-hour intervals respectively. Signs of irritation or corrosion were assessed immediately and at 1 hour following removal of the patches according to the Dermal Grading System for Potential In-Depth Injury at the 3-minute sites and by the method of Draize at the 1- and 2-hour sites. Upon a 1-hour assessment after removal of the 2-hour application, humane euthanasia of all treated animals due to excessive dermal irritation terminated study. Nearly all test sites for all exposure periods exhibited slight to moderate blanching initially. The 3-minute exposure also produced slight necrosis at 1 site that was more severe and prevalent with increasing periods of exposure. Both 1-hour and 2-hour applications were also characterized by severe erythema and slight-moderate edema. One hour following removal of patches, grade 1-4 necrosis was noted on all sites of 3-minute or 1-hour exposures, while grade 1-3 eschar and severe edema was found on all 2-hour exposure sites. Superficial lightening and erythema extending beyond the test site were also noted in both 1- and 2-hour sites, while ulceration beyond the test site characterized 2-hour sites only 1 hour after patch removal. Researchers concluded that di-amylamine is corrosive to rabbit skin at 3-minute, 1-hour and 2-hour long exposures.
Artificial Pollution Sources
Dipentylamine's production and use as a rubber accelerator, flotation reagent, dyestuffs and corrosion inhibitor, and as a solvent of oils, resins, and some cellulose esters(1) may result in its release to the environment through various waste streams(SRC).
Environmental Bioconcentration
An estimated BCF of 156 was calculated for dipentylamine(SRC), using an estimated log Kow of 3.76(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is high(SRC).
Volatilization from Water/Soil
With a pKa of 11.16(1), dipentylamine will exist predominantly in its protonated form in the environment and the protonated form of dipentylamine will not volatilize from water or moist soil surfaces(2). Dipentylamine is not expected to volatilize from dry soil surfaces(SRC) based on its vapor pressure of 0.15 mm Hg at 25 °C(3).
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2841
- hs_code
- 2921.19.6190
- RTECS-Nr.
- RZ9100000
- risk_code
- 23/24/25-34-37/38-24-22-50/53
- hazard_code
- T,N,C
- safety_code
- 26-27-36/37/39-45-61-60
- hazard_class
- 3
- packing_group
- III
- Speicherklasse
- 3 - Flammable liquids
- Giftige Stoffe Daten
- 2050-92-2(Hazardous Substances Data)
- Hazard Classifications
- Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralAquatic Acute 1Skin Corr. 1B
Chemie und Industrie
Verwendung und Herstellung
Uses
Used in rubber accelerators, flotation reagents, dyestuffs, and corrosion inhibitors and as a solvent for oils, resins, and some cellulose esters; [Hawley] Used as a catalyst, hair wave setting compound, and to make templating agents; [CHEMINFO]
Dressing Hair [Category: Other]
Rubber accelerators; flotation reagents; dyestuffs & corrosion inhibitors; solvent for oils, resins; solvent for some cellulose esters
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
1-Pentanamine, N-pentyl-: ACTIVE
DIPENTYLAMINE WAS INCLUDED IN STUDY OF OTHER AMINES WHICH SHOWED REPELLENT PROPERTIES FOR COCKROACHES.
Anwendungen
VerwendenDi-n-amylamine is manufactured from amyl chloride and ammonia. It is used in organic syntheses and as a solvent, rubber accelerator, flotation reagent, and corrosion inhibitor.
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