CAS 7378-99-6 Dimethyloctylamine (HCID 16224)

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Basic information

CAS: 7378-99-6
Standard SMILES: CCCCCCCCN(C)C
InChIKey: UQKAOOAFEFCDGT-UHFFFAOYSA-N
Molecular formula: C10H23N
Average molar mass: 157.3 g/mol
Monoisotopic mass: 157.18304974

Names & identifiers

Preferred name: Dimethyloctylamine
IUPAC: N,N-dimethyloctan-1-amine
English name: N,N-Dimethyloctylamine
Molecular formula: C10H23N
Molecular weight: 157.3

Names & synonyms

N,N-Dimethyloctylamine7378-99-6N,N-Dimethyl-n-octylamineOctyldimethylamineDimethyloctylamineN-Octyldimethylamine1-Octanamine, N,N-dimethyl-Octylamine, N,N-dimethyl-DTXSID203629920N7H7X4SDNSC-63928DTXCID0016299

Show more names

N,NDMOAAdma8N,N-DimethyloctylaminN1,N1-DIMETHYLOCTAN-1-AMINENRTN

RefChem:167909230-939-3N,N-dimethyloctan-1-amineDimethyl(octyl)amineDimethyl-N-octylamine1-(Dimethylamino)octaneN,N-Dimethyl-1-octanamineC10H23N

Database identifiers

CAS: 7378-99-6
PubChem CID: 16224
DTXSID: DTXSID2036299
ChEMBL: CHEMBL3183197
UNII: 20N7H7X4SD
EC Number: 230-939-3
Nikkaji: J97.830B

Properties

Computed structural properties

XLogP: 4.2
Topological polar surface area: 3.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 7
Heavy atoms: 11
Formal charge: 0
Complexity: 69.3

Experimental & physicochemical properties

SpringerMaterials PropertiesBoiling point

Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR

Physical DescriptionLiquid

Physicochemical properties

Melting point: -57 °C · -57 °C (lit.)
Boiling point: 195 °C · 195 °C (lit.)
Density: 0.765 g/mL · 0.765 g/mL at 25 °C (lit.)
vapor density: 5.4 · 5.4 (vs air)
vapor pressure: 0.8 mm · 0.8 mm Hg ( 25 °C)
refractive index: 20 · n20/D 1.424(lit.)
Flash point: 149 °F · 149 °F
storage temp.: 30 °C · Store below +30°C.
form: Liquid
pka: 9.86 · 9.86±0.28(Predicted)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (92.6%): Toxic if swallowed [Danger Acute toxicity, oral]

P203, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P318, P319, P320, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 203 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 4 items

Chemical: 1-Octanamine, N,N-dimethyl-

1-Octanamine, N,N-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Octanamine, N,N-dimethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: No longer Valid Update: 30-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/25761

Octyldimethylamine: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 3 (92.6%)

Safety data

F: 10-23
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
rtecs: RG8075000
ridadr: UN 2922 8/PG 3
hs_code: 29211980
Toxicity: LD50 orally in Rabbit: 162 mg/kg

Chemistry & industry

Uses & manufacturing

U.S. Production2023: 550,000 - <700,000 lb

Consumer UsesIntermediate

Industry UsesSurfactant (surface active agent)

General Manufacturing Information · 2 items

Wholesale and Retail Trade

1-Octanamine, N,N-dimethyl-: ACTIVE

Applications · 2 items

UsesBarlene(R) 8S is a tertiary amine used typically as an intermediate in the manufacture of quaternary ammonium compounds.

UsesN,N-Dimethyl-n-octylamine is used as ion-pairing agent in the quantitative estimation of thiazinamium methylsulphate in a pharmaceutical preparation by HPLC. It acts as a counterion in mobile phase for separation of tetracycline, tetracycline analogs and their potential impurities by reversed-phase ion-pair chromatography. Further, it is used in the study of chiral separations by complexation with proteins in capillary zone electrophoresis. In addition to this, it is used as a mobile phase in direct resolution and quantitation of (R)- and (S)-disopyramide