Octadecylamine(CAS No. 124-30-1)

Octadecylamine C18H39N (cas 124-30-1) Molecular Structure

124-30-1 Structure

Identification and Related Records

【Name】
Octadecylamine
【CAS Registry number】
124-30-1
【Synonyms】
Octadecylaminetech
stearylamine approx. 90%
Stearylamine
1-Octadedecylamine
1-Octadecylamine
1-Aminooctadecane~Stearylamine
Octadecylamin
【EINECS(EC#)】
204-695-3
【Molecular Formula】
C18H39N (Products with the same molecular formula)
【Molecular Weight】
269.51
【Inchi】
InChI=1/C18H39N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-19H2,1H3
【InChIKey】
REYJJPSVUYRZGE-UHFFFAOYSA-N
【Canonical SMILES】
CCCCCCCCCCCCCCCCCCN
【MOL File】
124-30-1.mol

Chemical and Physical Properties

【Appearance】
white to off-white solid
【Density】
0.86
【Melting Point】
50-60℃
【Boiling Point】
349℃
【Refractive Index】
1.4522
【Flash Point】
148℃
【Water】
practically insoluble
【Solubilities】
practically insoluble
【Stability】
Stable at normal temperatures and pressures.
【HS Code】
29211980
【Storage temp】
Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Flammables-area.
【Spectral properties】
Index of refraction: 1.4522 @ 20 deg C
IR: 20374 (Sadtler Research Laboratories Prism Collection)
NMR: 16084 (Sadtler Research Laboratories Spectral Collection)
MASS: 212 (Aldermaston, Eight Peak Index of Mass Spectra, UK)
MASS: 4716 (National Bureau of Standards EPA-NIH Mass Spectra Data Base, NSRDS-NBS-63)
【Computed Properties】
Molecular Weight:269.50896 [g/mol]
Molecular Formula:C18H39N
XLogP3:8.5
H-Bond Donor:1
H-Bond Acceptor:1
Rotatable Bond Count:16
Exact Mass:269.30825
MonoIsotopic Mass:269.30825
Topological Polar Surface Area:26
Heavy Atom Count:19
Formal Charge:0
Complexity:145
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1

Safety and Handling

【Hazard Codes】
Xi:Irritant;
【Risk Statements】
R38;R41
【Safety Statements 】
S26;S28;S37/39
【HazardClass】
8
【Safety】

Poison by intraperitoneal route. Moderately toxic by ingestion. A skin irritant. When heated to decomposition it emits toxic fumes of NOx. See also AMINES.
Safety Information of Octadecanamine (CAS NO.124-30-1):
Hazard Codes:Xi
Risk Statements:
36:  Irritating to the eyes
37:  Irritating to the respiratory system
38:  Irritating to the skin 
41:  Risk of serious damage to eyes
Safety Statements:
26:  In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
28:  After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) 
36:  Wear suitable protective clothing 
37:  Wear suitable gloves
39:  Wear eye/face protection
RIDADR: 3259
WGK Germany: 2
RTECS: RG4150000
HazardClass: 8
PackingGroup: III
HS Code: 29211980

【PackingGroup 】
III
【Transport】
160kgs
【Specification】

 Octadecanamine , its CAS NO. is 124-30-1, the synonyms are Adogenen 142 ; 1-Octadecanamine ; adogenen142 ; Alamine 7 ; Alamine 7D ; Amine 18-90 .

【Report】

Reported in EPA TSCA Inventory.

【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.

Use and Manufacturing

【Use and Manufacturing】
Methods of Manufacturing

CATALYTIC HYDROGENATION OF STEARYL NITRILE
U.S. Production

(1972) 2.46X10+8 GRAMS
(1975) PROBABLY GREATER THAN 1.36X10+6 GRAMS
(1984) 1.11X10+9 g
【Usage】
Anticorrosive agent.

Environmental Fate and Exposure Potential

【Environmental Fate/Exposure Summary】
TERRESTRIAL FATE: Based on a classification scheme(1), an estimated log Koc value of 5.5(SRC), determined from an estimated log Kow of 7.7(2,SRC) and a regression-derived equation(3), indicates that octadecylamine is expected to be immobile in soil(SRC). A pKa value of 10.65(4) indicates that the protonated form will be the dominant species in moist soil surfaces and cationic molecules generally adsorb strongly to soils(SRC). Volatilization of octadecylamine from moist soil surfaces is not expected to be an important fate process since the protonated form is expected to be the dominant species based on the pKa value(4). Volatilization of octadecylamine from dry soil surfaces is not expected(SRC) based upon the estimated vapor pressure of 4.4X10-5 mm Hg at 25 deg C(5). A 32% of theoretical BOD in an activated sludge inoculum was observed over a 15-day incubation period(6), suggesting that biodegradation may be rapid in the environment(SRC).
AQUATIC FATE: Based on a classification scheme(1), an estimated log Koc value of 5.5(SRC), determined from an estimated log Kow of 7.7(2,SRC) and a regression-derived equation(3), indicates that octadecylamine is expected to adsorb to suspended solids and sediment in water(SRC). A pKa value of 10.65(4) indicates that the protonated form will be the dominant species in water and volatilization from water surfaces is not expected to be an important fate process(SRC). According to a classification scheme(5), an estimated log BCF of 5.6(3,SRC), from its estimated log Kow(2,SRC), suggests the potential for bioconcentration in aquatic organisms is very high(SRC). A 32% of theoretical BOD in an activated sludge inoculum was observed over a 15-day incubation period(6), suggesting that biodegradation may be rapid in the environment(SRC).
ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), octadecylamine, which has an estimated vapor pressure of 4.4X10-5 mm Hg at 25 deg C(2), is expected to exist in both the vapor and particulate phases in the ambient atmosphere. Vapor-phase octadecylamine 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 10 hours(SRC) from its estimated rate constant of 3.4X10-11 cu cm/molecule-sec at 25 deg C(SRC), determined from a structure estimation method(3). Particulate-phase octadecylamine will be removed from the atmosphere by wet and dry depostion(SRC).

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