Isobutylamine

HCID 6558CAS 78-81-9

基本情報

標準SMILES
CC(C)CN
InChIKey
KDSNLYIMUZNERS-UHFFFAOYSA-N
分子式
C4H11N
平均分子量
73.14 g/mol
単同位体質量
73.08914935

概要

Isobutylamine appears as a clear colorless liquid with a fishlike odor. Flash point 15 °F. Less dense (6.1 lb / gal) than water. Vapors heavier than air. Produces toxic oxides of nitrogen during combustion.

名称と識別子

優先名称
Isobutylamine
IUPAC
2-methylpropan-1-amine
現地名
イソブチルアミン
英語名
Isobutylamine
分子式
C4H11N
分子量
73.14

名称と別名

ISOBUTYLAMINE78-81-92-methylpropan-1-amine1-Amino-2-methylpropane2-MethylpropylamineValamineMonoisobutylamine1-Propanamine, 2-methyl-iso-Butylamine2-MethylpropanamineI-Butylamine2-Methyl-1-propanamine
名称をさらに表示
イソブチルアミンバラミン2-メチルプロパン-1-アミン2-メチル-1-プロパンアミン2-メチルプロピルアミン1-アミノ-2-メチルプロパンISO-ブチルアミン1-アミノ-2-メチルプロパン(イソブチルアミン)IBAMIBAsobutylaMine2-Methyl-1-propylamineC02787nsc8028iso-C4H9NH2
3-Methyl-2-propylamine2-Methyl-1-Aminopropane1H60H4LOHZNSC-8028DTXSID9025459FEMA NO. 4239CHEBI:15997RefChem:791647

データベース識別子

CAS
78-81-9
PubChem CID
6558
DTXSID
DTXSID9025459
ChEBI
CHEBI:15997
UNII
1H60H4LOHZ
EC Number
201-145-4
Nikkaji
J46.573I

物性

構造計算による物性

XLogP
0.7
極性表面積
26 Ų
水素結合供与体数
1
水素結合受容体数
1
回転可能結合数
1
重原子数
5

実験および物理化学的性質

Chemical Classes · 2 件

Nitrogen Compounds -> Amines, Aliphatic

Flammable agents - 3rd degree

SpringerMaterials Properties15N nuclear magnetic resonance spectrum
LogP · 4 件

log Kow = 0.73

0.73

0.73

0.73

Odor · 2 件

Amine odor

Fish-like odor.

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density · 5 件

0.739 at 68 °F (USCG, 1999) - Less dense than water; will float

0.724 at 25 °C/4 °C

Relative density (water = 1): 0.72

0.731-0.737

0.731 @ 20°C

物理化学的性質

融点
-85 °C · -85 °C (lit.)
沸点
64 · 64-71 °C (lit.)
比重(密度)
0.736 g/mL · 0.736 g/mL at 25 °C (lit.)
蒸気圧
15.9 kPa · 15.9kPa at 20℃
FEMA
4239 · 4239 | ISOBUTYLAMINE
屈折率
20 · n20/D 1.397(lit.)

化学的性質

化学的特性Isobutylamine is a flammable liquid, miscible with water, alcohol, and ether. Colorless to yellow liquid; fishy cheesy aroma.

安全と法規制

GHS分類

GHS Classification · 6 件

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, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P361+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 208 reports by companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

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

危険有害性情報

Regulatory Information · 5 件

Chemical: 1-Propanamine, 2-methyl-

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

Status: Active Update: 26-11-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/27674

Isobutylamine: 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.)

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

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

· Flammable/combustible material.

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

Fire Potential · 2 件

Highly flammable. Gives off irritating or toxic fumes (or gases) in a fire.

DANGEROUS, WHEN EXPOSED TO HEAT OR FLAME; CAN REACT VIGOROUSLY WITH OXIDIZING MATERIALS

Health Hazards · 2 件

Inhalation causes severe coughing and chest pain due to irritation of air passages; can cause lung edema. Compound is sympathomimetic and is also a cardiac depressant and convulsant; ingestion causes nausea and profuse salivation. Contact with eyes causes severe irritation and edema of the cornea. Contact with skin causes severe irritation. (USCG, 1999)

· May cause toxic effects if inhaled or ingested.

安全と保護具

Fire Fighting · 2 件

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

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

First Aid Measures · 4 件

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. Refer for medical attention .

Accidental Release Measures · 2 件

· 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 件

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:

Safe StorageFireproof. Separated from strong oxidants, strong acids and food and feedstuffs.
Exposure Control and Personal Protection · 2 件

· Wear positive pressure self-contained breathing apparatus (SCBA).

2.0 [ppm], Ceiling = 5 ppm[German Research Foundation (DFG)]

毒性情報

Ecotoxicity Values · 3 件

LC50 Danio rerio (Zebrafish, embryo) 1,267 umol/L/48 hr (95% confidence 1,093-1,610 umol/L); static (DarT test) /from table/

LD50 Danio rerio (Zebrafish, embryo) 3,282 umol/kg (calculated); static (DarT test) /from table/

LC100 Semotilus atromaculatus /(Creek chub)/ 820 umol/L/24 hr; static, 15-21 °C /from table/

Environmental Fate · 3 件

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 60(SRC), determined from a log Kow of 0.73(2) and a regression-derived equation(3), indicates that isobutylamine is expected to have high mobility in soil(SRC). The pKa of isobutylamine is 10.68(4) indicating that this compound will exist almost entirely in the cation form in the environment and cations generally adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(5). Volatilization of isobutylamine from moist soil surfaces is not expected to be an important fate process given its cation state(SRC). Isobutylamine is expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(6). Isobutylamine was 87 percent and 68 percent biodegraded during a 2 week incubation period using a Japanese MITI test(7), suggesting that biodegradation may occur in soils(SRC).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 60(SRC), determined from a log Kow of 0.73(2) and a regression-derived equation(3), indicates that isobutylamine is not expected to adsorb to suspended solids and sediment in water(SRC). A pKa of 10.68(4) indicates isobutylamine 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(5). According to a classification scheme(6), an estimated BCF of 3(SRC), from its log Kow(2) and a regression-derived equation(7), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Isobutylamine was 87 percent and 68 percent biodegraded during a 2 week incubation period using a Japanese MITI test(8), suggesting that biodegradation may occur in water(SRC).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), isobutylamine, which has a vapor pressure of 138 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase isobutylamine 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(SRC), derived using a structure estimation method(3). Isobutylamine does not contain chromophores that absorb at wavelengths >290 nm(4) and therefore is not expected to be susceptible to direct photolysis by sunlight(SRC).

Food Survey Values · 4 件

Volatile amines /including isobutylamine were/ isolated ... from 4 month old Chanakh cheese.

The concn of various amines in 13 red and 10 white Italian wines were determined. ... The mean value for the red and white wines were 0.06 mg/L and 0.23 mg/L for isobutylamine, respectively.

Isobutylamine has been qualitatively detected in various Italian cheeses, in German wine, in American beef, in Valencia oranges, lemons from CA and cooked and boiled beef(1-6).

Isobutylamine concentrations in various foods(1). [Table#1715]

Adverse EffectsDermatotoxin - Skin burns.
Exposure RoutesThe substance can be absorbed into the body by inhalation of its vapour and by ingestion.
Milk Concentrations · 1 件

... The presence of volatile aliphatic amines ... in human breast milk and amniotic fluid /was measured/ to assess their role in neonatal hypergastrinemia. These volatile nitrogenous amino acid metabolites have been previously demonstrated to stimulate gastrin release in in vivo and in vitro laboratory preparations. ... The present study ... demonstrated that these gastrin-stimulatory volatile amines were present in significant concentrations in breast milk during the first several weeks after parturition and in amniotic fluid. The individual amines that were identified in both human milk and amniotic fluid samples were methylamine, dimethylamine, ethylamine, trimethylamine, propylamine, isobutylamine, and butylamine. This study provides indirect evidence to support the possibility that the hypergastrinemia measured in the fetus/neonate during the period immediately before and after birth may be attributable, in part, to the ingestion of fluid containing high concentrations of gastrin-stimulating amines.

法規制情報

CERCLA Reportable Quantities · 1 件

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 · 1 件

Isobutyamine 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.

安全データ

F
10-23
OEL
STEL: 5.0 ppm; 15.0 mg/m3
wgk
1
tsca
TSCA listed
rtecs
NP9900000
ridadr
UN 1214

化学と産業

薬理情報

Cellular LocationsCytoplasm

用途と製造

Uses · 3 件

Used in the production of insecticides and other organic chemicals; [HSDB]

Organic synthesis, insecticides.

Dehairing agent

U.S. ProductionProduction volumes for non-confidential chemicals reported under the Inventory Update Rule. [Table#1716]
Methods of Manufacturing · 2 件

From isobutyl alcohol + ammonia; British patent 847,799 (1960 to Cellulose-polymeres et Derives "Cepede"); Shirley, Speranza, US patent 3,128,311 (1964 to Jefferson Chem). Isolation from fungi: von Kamienski, Planta 50, 331 (1958).

THERMAL DECOMP PRODUCT FROM VALINE & LEUCINE. /FROM TABLE/

Formulations/PreparationsVALAMINE
Use Classification · 4 件

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing Information · 3 件

1-Propanamine, 2-methyl-: ACTIVE

With isobutylamine, crotonic acid forms interpolymerization products suitable for sizing and wood sealing.

Aziridines are hydrogenated in the presence of typical hydrogenation catalysts to give alkyl amines.

応用分野

用途殺虫剤、重合触媒、安定剤

一般的な説明Isobutylamine is a clear colorless liquid with a fishlike odor. Flash point 15°F. Less dense (6.1 lb / gal) than water. Vapors heavier than air. Produces toxic oxides of nitrogen during combustion.

調製方法

Isobutylamine is manufactured from isobutanol and ammonia or by the thermal decomposition of valine to isoleucine.

サプライヤー50 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西(上海)生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

関連反応

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