ChemicalBook--->CAS DataBase List--->111-86-4

111-86-4

111-86-4 Structure

111-86-4 Structure
IdentificationMore
[Name]

Octylamine
[CAS]

111-86-4
[Synonyms]

1-AMINOOCTANE
1-OCTANAMINE
1-OCTYLAMINE
AMINE C8
CAPRYLAMINE
Monoctylamine
N-OCTYLAMINE
OCTYLAMINE
RARECHEM AL BW 0241
1-Aminooctan
Amine 8 D
Armeen 8
Armeen 8d
armeen8
armeen8d
Caprylamin
Caprylylamine
Monooctylamine
n-C8H17NH2
n-Octylamin
[EINECS(EC#)]

203-916-0
[Molecular Formula]

C8H19N
[MDL Number]

MFCD00008247
[Molecular Weight]

129.24
[MOL File]

111-86-4.mol
Chemical PropertiesBack Directory
[Appearance]

CLEAR LIQUID
[Melting point ]

−5-−1 °C(lit.)
[Boiling point ]

175-177 °C(lit.)
[density ]

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

1 mm Hg ( 20 °C)
[refractive index ]

n20/D 1.429(lit.)
[Fp ]

145 °F
[storage temp. ]

Store below +30°C.
[solubility ]

0.32g/l
[form ]

Liquid
[pka]

10.65(at 25℃)
[color ]

Clear
[Odor]

strong fishy ammonia-like odor
[PH]

11.8 (100g/l, H2O, 25℃)
[explosive limit]

1.6-8.2%(V)
[Water Solubility ]

0.2 g/L (25 ºC)
[BRN ]

1679227
[Henry's Law Constant]

2.2×10-1 mol/(m3Pa) at 25℃, Brockbank (2013)
[Dielectric constant]

3.5800000000000001
[InChI]

1S/C8H19N/c1-2-3-4-5-6-7-8-9/h2-9H2,1H3
[InChIKey]

IOQPZZOEVPZRBK-UHFFFAOYSA-N
[SMILES]

CCCCCCCCN
[LogP]

3.46 at 20℃
[CAS DataBase Reference]

111-86-4(CAS DataBase Reference)
[NIST Chemistry Reference]

1-Octanamine(111-86-4)
[EPA Substance Registry System]

111-86-4(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)Corrosion (GHS05)Skull and Crossbones (GHS06)Environment (GHS09)
GHS02,GHS05,GHS06,GHS09
[Signal word ]

Danger
[Hazard statements ]

H226-H301+H311-H314-H332-H335-H410
[Precautionary statements ]

P210-P273-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
[Hazard Codes ]

C,N
[Risk Statements ]

R34:Causes burns.
R50:Very Toxic to aquatic organisms.
R35:Causes severe burns.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
[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) .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
S29:Do not empty into drains .
[RIDADR ]

UN 2735 8/PG 2
[WGK Germany ]

2
[RTECS ]

RG8050000
[Autoignition Temperature]

265 °C
[TSCA ]

Yes
[REACH Registrations]

Active
[HazardClass ]

8
[PackingGroup ]

II
[HS Code ]

29211980
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Acute Tox. 3 Dermal
Acute Tox. 3 Oral
Acute Tox. 4 Inhalation
Aquatic Acute 1
Aquatic Chronic 2
Eye Dam. 1
Flam. Liq. 3
Skin Corr. 1A
STOT SE 3
[Toxicity]

LD50 orally in Rabbit: > 250 mg/kg LD50 dermal Rabbit 200 - 2000 mg/kg
Hazard InformationBack Directory
[General Description]

A yellow liquid with an ammonia-like odor. Insoluble in water and less dense than water. Hence floats on water. Contact may irritate skin, eyes and mucous membranes. May be toxic by ingestion. Used to make other chemicals.
[Reactivity Profile]

OCTANAMINE 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]

Insoluble in water.
[Health Hazard]

TOXIC; inhalation, ingestion or skin contact with material may cause severe injury or death. Contact with molten substance may cause severe burns to skin and eyes. Avoid any skin contact. Effects of contact or inhalation may be delayed. Fire may produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause pollution.
[Fire Hazard]

Combustible material: may burn but does not ignite readily. When heated, vapors may form explosive mixtures with air: indoors, outdoors and sewers explosion hazards. Contact with metals may evolve flammable hydrogen gas. Containers may explode when heated. Runoff may pollute waterways. Substance may be transported in a molten form.
[Chemical Properties]

CLEAR LIQUID
[Uses]

1-Octylamine is used as a precursor to prepare chemicals. It finds application in functional fluids and as a laboratory reagent. Further, it is used as a reactant in the preparation of 2H-indazoles and 1H-indazolones, which are used as myeloperoxidase(MPO) inhibitors.
[Definition]

ChEBI: An 8-carbon primary aliphatic amine.
[Production Methods]

Specific uses were not located in the literature. 1-Octylamine is manufactured under the tradenameArmeen8D(Armak).
[Synthesis Reference(s)]

Chemistry Letters, 7, p. 1057, 1978
The Journal of Organic Chemistry, 47, p. 4327, 1982 DOI: 10.1021/jo00143a031
Tetrahedron Letters, 11, p. 3411, 1970
[Flammability and Explosibility]

Flammable
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

1-Aminooctane(111-86-4).msds
Spectrum DetailBack Directory
[Spectrum Detail]

Octylamine(111-86-4)MS
Octylamine(111-86-4)1HNMR
Octylamine(111-86-4)13CNMR
Octylamine(111-86-4)IR1
Octylamine(111-86-4)IR2
Octylamine(111-86-4)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

n-Octylamine, 99+%(111-86-4)
[Alfa Aesar]

1-Octylamine, 99%(111-86-4)
[Sigma Aldrich]

111-86-4(sigmaaldrich)
[TCI AMERICA]

n-Octylamine,>98.0%(GC)(111-86-4)
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