胺，C12-16-烷基二甲基，N-氧化物

Description

Amines, C12-16-alkyldimethyl, N-oxides · CAS 85408-49-7 · C3H9NO. UNII FLD0K1SJ1A. Melting Point: 95 - 99 °C; Solubility: 454 mg/mL; LogP: -2.570.

Identification

CAS Registry Number	85408-49-7
PubChem CID	1145
Molecular formula	C3H9NO
IUPAC name	N,N-dimethylmethanamine oxide
UNII (FDA)	FLD0K1SJ1A
FEMA number	4245
JECFA number	1614

Computed Descriptors

Molecular Weight	75.11
XLogP3	-0.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	75.068413911
Monoisotopic Mass	75.068413911
Topological Polar Surface Area	18.1
Heavy Atom Count	5
Formal Charge	0

Physical & Chemical Properties

Melting Point	95 - 99 °C
Solubility	454 mg/mL
LogP	-2.570

Physical description & handling notes

• Liquid
• Colorless solid; Highly hygroscopic; [Merck Index]
• Solid
• Colourless to yellow solid; Odourless
• Soluble in water
• Soluble (in ethanol)

Regulatory Status

Regulatory & Food Contact	EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent No safety concern at current levels of intake when used as a flavouring agent ">TRS 952-JECFA 69/155

GHS Hazard Classification

Reported hazard statements	H302 (71.8%), H315 (100%), H318 (100%), H400 (100%), H411 (55.9%), H332 (31.5%), H319 (64.1%), H335 (63%)

Documented Uses

• Present in marine organisms; Used in organic synthesis (oxidizing agent); [Merck Index] Used to make quaternary ammonium compounds, as an insect attractant, and a warning agent for flammable gas; [ChemIDplus] Used as flavoring agent or adjuvant; [FDA]
• TMAO is produced endogenously in the body. High levels are found in fish. It is a uremic toxic and an atherotoxin or atherogenic. It is also an osmolyte.
• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Flavoring Agents -> JECFA Flavorings Index
• Not Known or Reasonably Ascertainable
• Methanamine, N,N-dimethyl-, N-oxide: ACTIVE

Synonyms

TRIMETHYLAMINE N-OXIDE; Trimethylamine oxide; 1184-78-7; N,N-dimethylmethanamine oxide; Triox; Trimethyloxamine; TMAO; N,N-Dimethylmethanamine N-oxide; Methanamine, N,N-dimethyl-, N-oxide; trimethylammonium oxide; (CH3)3NO; FLD0K1SJ1A; NSC-408426; CHEBI:15724; FEMA NO. 4245; RefChem:933449

Frequently Asked Questions

What are the CAS number and molecular formula of Amines, C12-16-alkyldimethyl, N-oxides?

CAS 85408-49-7; molecular formula C3H9NO; molecular weight — g/mol.

What other names is Amines, C12-16-alkyldimethyl, N-oxides known by?

TRIMETHYLAMINE N-OXIDE, Trimethylamine oxide, 1184-78-7, N,N-dimethylmethanamine oxide, Triox, Trimethyloxamine.

What is the regulatory status of Amines, C12-16-alkyldimethyl, N-oxides?

Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; Flavoring Agents.

Is Amines, C12-16-alkyldimethyl, N-oxides classified as hazardous?

Hazard statements reported: H302, H315, H318, H400, H411.

What are the key physical properties of Amines, C12-16-alkyldimethyl, N-oxides?

Melting Point: 95 - 99 °C; Solubility: 454 mg/mL; LogP: -2.570.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.