CAS 2439-55-6 N-Methyloctadecylamine (HCID 75539)

Names & identifiers

Preferred name: N-Methyloctadecylamine
IUPAC: N-methyloctadecan-1-amine
English name: N-Methyl-n-octadecylamine
Molecular formula: C19H41N
Molecular weight: 283.54

Names & synonyms

N-MethyloctadecylamineN-Methyl-N-octadecylamineN-MethylstearylamineMethyloctadecylamineN-Methyl-1-octadecanamine1-Octadecanamine, N-methyl-OctadecylmethylamineMethylstearylamineN-Methyl-N-stearylamineN-Stearyl-N-methylamineN-MethyloctadecanamineOctadecylamine, N-methyl-

Show more names

AURORA KA-7764STEARYLMETHYLAMINEN-METHYLSTREARYLAMINEn-methyl-octadecylamin

Methyl-n-octadecylamineN-octadecylmethylamineNSC 66468UNII-VII03N5WBXVII03N5WBXEINECS 219-463-7BRN 1758431Methyl-octadecyl-amine

Database identifiers

CAS: 2439-55-6
PubChem CID: 75539
DTXSID: DTXSID50870977
UNII: VII03N5WBX
EC Number: 219-463-7
Nikkaji: J208.739A

Properties

Computed structural properties

XLogP: 8.6
Topological polar surface area: 12 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 17
Heavy atoms: 20
Formal charge: 0
Complexity: 156

Experimental & physicochemical properties

Kovats Retention Index2088

Physicochemical properties

Melting point: 42 · 42-46 °C (lit.)
Boiling point: 346.08 °C · 346.08°C (estimate)
Density: 0.7953 · 0.7953 (estimate)
refractive index: 1.4528 · 1.4528 (estimate)
Flash point: 230 °F · >230 °F
solubility: soluble in Methanol
form: powder to crystal
pka: 10.78 · 10.78±0.10(Predicted)
color: White to Light yellow to Light orange
BRN: 1758431 · 1758431
InChI: 1S/C19H41N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-2/h20H,3-19H2,1-2H3
InChIKey: SZEGKVHRCLBFKJ-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCCCCCCCNC
CAS DataBase Reference: 2439 · 2439-55-6(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 3 N5WBX · VII03N5WBX
EPA Substance Registry System: 1 · 1-Octadecanamine, N-methyl- (2439-55-6)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-37/39
WGK Germany: 3 · 3
RTECS: 4460000 · RG4460000
F: 10 · 10-34
TSCA: TSCA listed
HS Code: 2921.19 · 2921.19.6190
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Toxicity: 50 · mouse,LD50,intraperitoneal,270mg/kg (270mg/kg),European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 26, Pg. 517, 1991.
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (48.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (51.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H411 (48.7%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 78 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory Information · 2 items

Chemical: 1-Octadecanamine, N-methyl-

Status: Active Update: 22-01-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/16874

Other Safety InformationIMAP assessments - 1-Octadecanamine, N-methyl-: Human health tier I assessment

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Dam. 1 (48.7%)；Eye Irrit. 2 (51.3%)；STOT SE 3 (50%)；Aquatic Chronic 2 (48.7%)

Regulatory information

Regulatory Information · 2 items

Chemical: 1-Octadecanamine, N-methyl-

Status: Active Update: 22-01-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/16874

Safety data

F: 10-34
PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
tsca: TSCA listed
rtecs: RG4460000
hs_code: 2921.19.6190
Toxicity: mouse,LD50,intraperitoneal,270mg/kg (270mg/kg),European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 26, Pg. 517, 1991.
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-37/39
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335
REACH Registrations: Active
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338