1-아미노부탄[네덜란드어]

Butylamine

HCID 178923281

기본 정보

CAS
85404-21-3
표준 SMILES
CCCCN
InChIKey
HQABUPZFAYXKJW-UHFFFAOYSA-N
분자식
C4H11N
평균 분자량
73.14 g/mol

개요

N-butylamine appears as a clear colorless liquid with an ammonia-like odor. Flash point 10 °F. Less dense (6.2 lb / gal) than water. Vapors heavier than air. Produces toxic oxides of nitrogen during combustion.

이름 및 식별자

우선 이름
Butylamine
IUPAC
butan-1-amine
현지명
1-아미노부탄[네덜란드어]
영어명
1-Amino-butaan [Dutch]
분자식
C4H11N
분자량
73.13684

이름 및 동의어

Butylaminebutan-1-amineN-BUTYLAMINE109-73-91-Butanamine1-Aminobutane1-ButylamineMonobutylamineNorvalamineN-ButylaminMono-n-butylamine1-Aminobutan
이름 더 보기
1-아미노부탄[네덜란드어]1-Amino-butaan [Dutch]
1-Amino-butaanMonobutilaminaButanaminen-ButilaminaNorralamineFEMA No. 3130DTXSID1021904N2QV60B4WR

데이터베이스 식별자

CAS
85404-21-3
ChEMBL
CHEMBL13968
ChEBI
CHEBI:43799
UNII
N2QV60B4WR
EC Number
203-699-2
Nikkaji
J2.436H

물성

구조 계산 물성

XLogP
1
극성 표면적
26 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
1
회전 가능 결합 수
2
무거운 원자 수
5

실험 및 물리화학적 성질

Chemical Classes · 2건

Nitrogen Compounds -> Amines, Aliphatic

Flammable agents - 3rd degree

DrugsPharmaceuticals -> Listed in ZINC15
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
LogP · 4건

log Kow = 0.97

0.97

0.86

0.74

Odor · 2건

Amine odor

... Fishy, ammonia-like odor.

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

H225: Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, 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+P235, P405, and P501 (click each P-code to see the statement)

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, 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)

유해성 정보

Regulatory Information · 6건

Chemical: 1-Butanamine

Commission Regulation (EC) No 1565/2000 (Repealed by Com.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

1-Butanamine is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Butanamine 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: 27-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/13605

1-Butanamine: HSNO Approval: HSR001090 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.)

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
DOT LabelFlammable Liquid Corrosive
Fire Hazards · 3건

Special Hazards of Combustion Products: Toxic oxides of nitrogen may form in fire.

· Flammable/combustible material.

Highly flammable. Gives off irritating or toxic fumes (or gases) in a fire. Vapour/air mixtures are explosive.

Fire PotentialFlammable
Health Hazards · 2건

Inhalation causes irritation, nausea, vomiting, headache, faintness, severe coughing and chest pains; can cause lung edema. Ingestion causes severe irritation of mouth and stomach. Contact with eyes causes severe irritation and edema of the cornea. Contact with skin causes burns; absorption through skin may cause nausea, vomiting and shock. (USCG, 1999)

· May cause toxic effects if inhaled or ingested.

안전 및 보호

Fire Fighting · 2건

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

Use water in large amounts, powder, alcohol-resistant foam, carbon dioxide. In case of fire: keep drums, etc., cool by spraying with water.

First Aid Measures · 4건

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. Refer for medical attention .

Accidental Release Measures · 2건

· 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 · 3건

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:

(General first aid procedures)

Safe StorageFireproof. Separated from food and feedstuffs. See Chemical Dangers.
Firefighting HazardsVAPORS ARE HEAVIER THAN AIR & MAY TRAVEL CONSIDERABLE DISTANCE TO SOURCE OF IGNITION & FLASH BACK.

독성 정보

Target OrgansEyes, skin, respiratory system
Ecotoxicity Values · 5건

LC50 Leuciscus idus /Freshwater fish, Ide or Orfe/ 171 mg/L/96 hr; freshwater.

LC50 Brine shrimp 30-70 ppm for 24 hr. /static bioassay/

EC50; Species: Anabaena subcylindrica (Blue-green algae, axenic, 1-3x 10+7 cells/mL); Conditions: freshwater, static, 25 °C, pH 7.2; Concentration: 0.012 ug/cell for < or = 3 hr; Effect: decreased nitrogen fixation

EC50; Species: Anabaena subcylindrica (Blue-green algae, axenic, 1-3x 10+7 cells/mL); Conditions: freshwater, static, 25 °C, pH 7.2; Concentration: 1.8x10-8 ug/cell for < or = 3 hr; Effect: decreased photosynthesis, oxygen production

For more Ecotoxicity Values (Complete) data for N-BUTYLAMINE (13 total), please visit the HSDB record page.

Environmental Fate · 3건

TERRESTRIAL FATE: Based on a classification scheme(1), Koc values ranging from 15 to 107(2) indicate that n-butylamine is expected to have high mobility in soil(SRC). The pKa of n-butylamine is 10.78(3) indicating that this compound will exist almost entirely in the cation form in the environment and therefore volatilization from moist soil surfaces is not expected to be an important fate process(SRC). The potential for volatilization of n-butylamine from dry soil surfaces may exist(SRC) based upon a vapor pressure of 92.9 mm Hg(4). Numerous screening studies indicate that n-butylamine will biodegrade readily(5-8); n-butylamine reached 67% of its theoretical BOD in 12 days using an activated sludge inoculum(5).

AQUATIC FATE: Based on a classification scheme(1), a Koc value range of 15 to 107 in soil and sediment(2), indicates that n-butylamine is not expected to adsorb to suspended solids and sediment(SRC). A pKa of 10.78(3) indicates n-butylamine will exist almost entirely in the cation form at pH values of 5 to 9 and therefore volatilization from water surfaces is not expected to be an important fate process(4). According to a classification scheme(5), an estimated BCF of 3(SRC), from its log Kow(6) and a regression-derived equation(7), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Numerous screening studies indicate that n-butylamine will biodegrade readily(8-11); n-butylamine reached 67% of its theoretical BOD in 12 days using an activated sludge inoculum(8).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), n-butylamine, which has a vapor pressure of 92.9 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase n-butylamine 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 11 hours(SRC) from its estimated rate constant of 3.4X10-11 cu cm/molecule-sec at 25 °C(3).

Food Survey Values · 1건

n-Butylamine has been detected to occur naturally in the following foods: kale, 7 ppm; pickles: cucumbers in aromatic vinegar, 0.6 ppm, cucumbers pickled with mustard, 5.3 ppm; cheese: Tilsiter, 3.7 ppm, Camembert and Limburger, not detected; brown bread, 1.1 ppm(1). Not detected in: spinach, red cabbage, cauliflower, white beet, carrot, red beet, large raddish, red radish, celery(1). n-Butylamine has been identified as a volatile component of boiled beef, concn unknown(2).

Adverse EffectsDermatotoxin - Skin burns.
Exposure Routes · 2건

The substance can be absorbed into the body by inhalation of its vapour, through the skin and by ingestion.

inhalation, skin absorption, ingestion, skin and/or eye contact

규제 정보

Atmospheric Standards · 1건

This action promulgates standards of performance for equipment leaks of Volatile Organic Compounds (VOC) in the Synthetic Organic Chemical Manufacturing Industry (SOCMI). The intended effect of these standards is to require all newly constructed, modified, and reconstructed SOCMI process units to use the best demonstrated system of continuous emission reduction for equipment leaks of VOC, considering costs, non air quality health and environmental impact and energy requirements. n-Butylamine is produced, as an intermediate or a final product, by process units covered under this subpart.

CERCLA Reportable Quantities · 1건

Persons in charge of vessels or facilities are required to notify the National Response Center (NRC) immediately, when there is a release of this designated hazardous substance, in an amount equal to or greater than its reportable quantity of 1000 lb or 454 kg. The toll free number of the NRC is (800) 424-8802. The rule for determining when notification is required is stated in 40 CFR 302.4 (section IV. D.3.b).

Clean Water Act Requirements · 1건

Butylamine is designated as a hazardous substance under section 311(b)(2)(A) of the Federal Water Pollution Control Act and further regulated by the Clean Water Act Amendments of 1977 and 1978. These regulations apply to discharges of this substance. This designation includes any isomers and hydrates, as well as any solutions and mixtures containing this substance.

화학 및 산업

약리 정보

Metabolism/MetabolitesMonoamine oxidase and diamine oxidase (histaminase) occur widely in animal tissues ... it is assumed that they play an important part in "detoxication" of amines not normally present /in the body/. /Aliphatic amines/
Absorption, Distribution and Excretion · 2건

... Recovered little ... n-butylamine in the urine after oral administration of the hydrochloride of this compound to humans ...

Amines are well absorbed from gut & respiratory tract. /Aliphatic amines/

Cellular LocationsCytoplasm

용도 및 제조

Uses · 6건

Used as an intermediate in the synthesis of dyes, drugs, rubber additives, emulsifiers, tanning agents, and insecticides; also used as a vulcanizing accelerator for rubber and as a curing agent for polymers; [NIOSH Guidelines for Chemical Hazards]

Plastic Composites Manufacturing [Category: Industry]

Monobutylamine is an intermediate for the production of plasticizers (e.g., the rubber accelerator dibutylthiourea), agrochemicals (e.g., DuPont's fungicide benomyl), pharmaceuticals (e.g., the antidiabetic tolbutamide), emulsifying agents, dyes, and UV absorbers.

Int for pharmaceuticals, dyestuffs, synthetic tanning agents, rubber chemicals, insecticides, emulsifying agents, and synthetic tanning agents

CHEM INT FOR RUBBER ACCELERATORS, EG, DIBUTYLTHIOUREA, VULCANIZING AGENTS, ANTIOXIDANTS-EG, NICKEL DIBUTYLTHIOCARBAMATE, BENOMYL, A CARBAMATE FUNGICIDE, TOLBUTAMIDE, A HYPOGLYCEMIC AGENT

FLAVOR USEFUL IN SEAFOOD & CHOCOLATE

U.S. Production · 5건

2023: 1,000,000 - <5,000,000 lb

(1978) 1.86X10+9 G

(1982) 1.11X10+9 G

Production volumes for non-confidential chemicals reported under the Inventory Update Rule. [Table#1456]

This chemical is listed as a High Production Volume (HPV) (65FR81686). Chemicals listed as HPV were produced in or imported into the U.S. in >1 million pounds in 1990 and/or 1994. The HPV list is based on the 1990 Inventory Update Rule. (IUR) (40 CFR part 710 subpart B; 51FR21438).

Consumption PatternsCHEM INT FOR RUBBER-PROCESSING CHEMICALS, (EG, ACCELERATORS, VULCANIZING AGENTS, & ANTIOXIDANTS), 50%; CHEM INT FOR PESTICIDES, 50% (1982)
Industry UsesIntermediate
Methods of Manufacturing · 3건

REACTION OF AMMONIA & N-BUTYL ALCOHOL AT ELEVATED TEMPERATURE AND PRESSURE IN THE PRESENCE OF A SILICA-ALUMINA CATALYST; REDUCTIVE AMINATION OF N-BUTYRALDEHYDE (NON-US PROCESS)

... By reduction of butyraldoxime ... Usually mfr by catalytic alkylation of ammonia with butyl alc: Davies et al, US patent 2,609,394 (1954 to ICI); Hindley, Fisher, US patent 2,782,237 (1957 to British Celanese); Lemon, Myerly, US patent 3,022,349 (1962 to Union Carbide); Shirley, Speranza US patent 3,128,311 (1964 to Jefferson Chem). Mfr from butyraldehyde & ammonia in presence of Raney nickel: Brimer et al, US patent 2,518,659 (1950 to Eastman Kodak).

Catalytic alkylation of ammonia with butyl alcohol.

Use Classification · 3건

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

공급사1 곳

HONEST JOY HOLDINGS LIMITED[email protected]

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