ChemicalBook--->CAS DataBase List--->78-81-9

78-81-9

78-81-9 Structure

78-81-9 Structure
IdentificationMore
[Name]

Isobutylamine
[CAS]

78-81-9
[Synonyms]

1-AMINO-2-METHYLPROPANE
2-METHYL-1-PROPANAMINE
2-Methylpropanamine
2-METHYLPROPYLAMINE
IBA
ISOBUTYLAMINE
MIBA
MONOISOBUTYLAMINE
RARECHEM AL BW 0039
1-Aminoisobutane
1-amino-isobutane
1-Propanamine,2-methyl-
2-Methyl-1-Aminopropane
2-methyl-1-propanamin
3-Methyl-2-propylamine
i-Butylamine
iso-C4H9NH2
nsc8028
Valamine
Isobuthylamine
[EINECS(EC#)]

201-145-4
[Molecular Formula]

C4H11N
[MDL Number]

MFCD00008146
[Molecular Weight]

73.14
[MOL File]

78-81-9.mol
Chemical PropertiesBack Directory
[Appearance]

Butyl amines are highly flammable, colorless liquids (n-turns yellow on standing) with ammoniacal or fishlike odors. n-isomer:
[Melting point ]

-85 °C (lit.)
[Boiling point ]

64-71 °C (lit.)
[density ]

0.736 g/mL at 25 °C(lit.)
[vapor pressure ]

15.9kPa at 20℃
[FEMA ]

4239
[refractive index ]

n20/D 1.397(lit.)
[Fp ]

15 °F
[storage temp. ]

Store below +30°C.
[solubility ]

1000g/l
[form ]

Liquid
[pka]

pK1:10.41(+1) (25°C)
[color ]

Clear colorless to slightly yellow
[Odor]

Strong ammoniacal.
[PH]

12.2 (100g/l, H2O, 20℃)
[explosive limit]

2-9%(V)
[Odor Threshold]

0.0015ppm
[Odor Type]

fishy
[Water Solubility ]

soluble
[Specific Heat Capacity]

Cp(liquid):183.2J/(g·K),at 25℃
[Detection Methods]

GC
[JECFA Number]

1583
[Merck ]

14,5132
[BRN ]

385626
[Henry's Law Constant]

7.3×10-1 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
[Dielectric constant]

4.4(Ambient)
[InChI]

1S/C4H11N/c1-4(2)3-5/h4H,3,5H2,1-2H3
[InChIKey]

KDSNLYIMUZNERS-UHFFFAOYSA-N
[SMILES]

CC(C)CN
[LogP]

-0.3 at 25℃
[Uses]

Organic synthesis, insecticides.
[CAS DataBase Reference]

78-81-9(CAS DataBase Reference)
[NIST Chemistry Reference]

1-Propanamine, 2-methyl-(78-81-9)
[EPA Substance Registry System]

78-81-9(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)Corrosion (GHS05)Skull and Crossbones (GHS06)
GHS02,GHS05,GHS06
[Signal word ]

Danger
[Hazard statements ]

H225-H301-H314
[Precautionary statements ]

P210-P233-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
[Hazard Codes ]

F,C
[Risk Statements ]

R11:Highly Flammable.
R22:Harmful if swallowed.
R35:Causes severe burns.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
[OEL]

STEL: 5.0 ppm; 15.0 mg/m3
[RIDADR ]

UN 1214 3/PG 2
[WGK Germany ]

1
[RTECS ]

NP9900000
[F ]

10-23
[Autoignition Temperature]

400°C
[TSCA ]

Yes
[REACH Registrations]

Active
[HazardClass ]

3
[PackingGroup ]

II
[HS Code ]

29211990
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Acute Tox. 3 Oral
Flam. Liq. 2
Skin Corr. 1A
[Hazardous Substances Data]

78-81-9(Hazardous Substances Data)
[Toxicity]

LD50 (14 day) in male, female rats (mg/kg): 224.4, 231.8 orally (Cheever)
Raw materials And Preparation ProductsBack Directory
[Raw materials]

2-Methyl-1-propanol-->Isobutyraldehyde-->p-Toluenesulfonamide-->1-Bromo-2-methylpropane
[Preparation Products]

Isobutyronitrile-->Triethyl 1,3,5-benzenetricarboxylate-->4-bromo-N-isobutylbenzenesulfonamide-->Benzenesulfonamide, 4-methoxy-N-(2-methylpropyl)- -->6-Quinolinamine, N-(2-methylpropyl)--->N-Isobutyl-3,5-dimethoxyaniline-->Acetamide, 2-[(2-methylpropyl)amino]--->N-Isobutylmethanesulfonamide-->-N-Isobutyl-3-phenylprop-2-en-1-amine-->2-(isobutylaMino)acetonitrile-->2,4(1H,3H)-Pyrimidinedione, 6-[(3-methylbutyl)amino]--->2-(IsobutylaMino)benzonitrile
Hazard InformationBack Directory
[General Description]

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.
[Reactivity Profile]

ISOBUTYLAMINE(78-81-9) neutralizes acids in exothermic reactions to form salts plus water. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen may be generated in combination with strong reducing agents, such as hydrides.
[Air & Water Reactions]

Highly flammable. Soluble in water.
[Hazard]

Flammable, dangerous fire risk. Strong irritant to skin and mucous membranes.
[Health Hazard]

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.
[Potential Exposure]

Alert: (n-isomer): Possible risk of forming tumors, suspected of causing genetic defects, suspected reprotoxic hazard, Primary irritant (w/o allergic reaction), (sec-isomer): Drug. n-Butylamine is used in pharmaceuticals; dyestuffs, rubber, chemicals, emulsifying agents; photography, desizing agents for textiles; pesticides, and synthetic agents. sec-Butylamine is used as a fungistate. tert-Butylamine is used as a chemical intermediate in the production of tert-Butylaminoethyl methacrylate (a lube oil additive); as an intermediate in the production of rubber and in rust preventatives and emulsion deterrents in petroleum products. It is used in the manufacture of several drugs
[First aid]

If this chemical gets into the eyes, remove any contact lenses at once and irrigate immediately for at least 15 minutes, occasionally lifting upper and lower lids. Seek medical attention immediately. If this chemical contacts the skin, remove contaminated clothing and wash immediately with soap and water. Seek medical attention immediately. If this chemical has been inhaled, remove from exposure, begin rescue breathing (using universal precautions, including resuscitation mask) if breathing has stopped and CPR if heart action has stopped. Transfer promptly to a medical facility. When this chemical has been swallowed, get medical attention. Rinse out mouth and do not induce vomiting. Medical observation is recommended for 24 to 48 hours after breathing overexposure, as pulmonary edema may be delayed. As first aid for pulmonary edema, a doctor or authorized paramedic may consider administering a drug or other inhalation therapy
[Shipping]

UN1125 n-Butylamine, Hazard Class: 3; Labels: 3—Flammable liquid, 8—Corrosive material. UN2014 Isobutylamine, Hazard Class: 3; Labels: 3—Flammable liquid, 8—Corrosive material
[Incompatibilities]

May form explosive mixture with air. May accumulate static electrical charges, and may causeignition of its vapors. n-Butylamine is a weak base; reacts with strong oxidizers and acids, causing fire and explosion hazard. Incompatible with organic anhydrides; isocyanates, vinyl acetate; acrylates, substituted allyls; alkylene oxides; epichlorohydrin, ketones, aldehydes, alcohols, glycols, phenols, cresols, caprolactum solution. Attacks some metals in presence of moisture. The tert-isomer will attack some forms of plastics
[Chemical Properties]

Butyl amines are highly flammable, colorless liquids (n-turns yellow on standing) with ammoniacal or fishlike odors. n-isomer:
[Chemical Properties]

Clear colorless to slightly yellow liquid
[Chemical Properties]

Colorless to yellow liquid; fishy cheesy aroma.
[Chemical Properties]

Isobutylamine is a flammable liquid, miscible with water, alcohol, and ether.
[Waste Disposal]

Use a licensed professional waste disposal service to dispose of this material. Dissolve or mix the material with a combustible solvent and burn in a chemical incinerator equipped with an afterburner andscrubber. All federal, state, and local environmental regulations must be observed.
[Definition]

ChEBI: An alkylamine having isobutyl as the alkyl group. It has been isolated from Sambucus nigra (Elderberry).
[Production Methods]

Isobutylamine is manufactured from isobutanol and ammonia or by the thermal decomposition of valine to isoleucine.
[Aroma threshold values]

High strength odor, fishy type; recommend smelling in a 0.10% solution or less.
[Chemical Reactivity]

Reactivity with Water No reaction; Reactivity with Common Materials: No reaction; Stability During Transport: Stable; Neutralizing Agents for Acids and Caustics: Not pertinent; Polymerization: Not pertinent; Inhibitor of Polymerization: Not pertinent.
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Isobutylamine(78-81-9).msds
Spectrum DetailBack Directory
[Spectrum Detail]

Isobutylamine(78-81-9)MS
Isobutylamine(78-81-9)13CNMR
Isobutylamine(78-81-9)IR1
Isobutylamine(78-81-9)IR2
Isobutylamine(78-81-9)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

Isobutylamine, 99%(78-81-9)
[Sigma Aldrich]

78-81-9(sigmaaldrich)
[TCI AMERICA]

Isobutylamine,>98.0%(GC)(78-81-9)
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