烟酸甲酯

Description

methyl nicotinate is identified by CAS 93-60-7, molecular formula C7H7NO2 and molecular weight 137.05 g/mol. UNII 7B1AVU9DJN; ChEBI 134761; InChIKey YNBADRVTZLEFNH-UHFFFAOYSA-N. Boiling Point: 209; Boiling Point: 209.00 °C. @ 760.00 mm Hg; Melting Point: 38-43.

Identification

CAS Registry Number	93-60-7
PubChem CID	7151
Molecular formula	C7H7NO2
Molecular weight	137.05 g/mol
IUPAC name	methyl pyridine-3-carboxylate
InChIKey	YNBADRVTZLEFNH-UHFFFAOYSA-N
UNII (FDA)	7B1AVU9DJN
ChEBI ID	CHEBI:134761
FEMA number	3709
JECFA number	1320

Computed Descriptors

Molecular Weight	137.14
XLogP3	0.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	137.047678466
Monoisotopic Mass	137.047678466
Topological Polar Surface Area	39.2
Heavy Atom Count	10
Formal Charge	0

Physical & Chemical Properties

Boiling Point	209
Boiling Point	209.00 °C. @ 760.00 mm Hg
Melting Point	38-43
Melting Point	38 °C
Solubility	47.6 mg/mL at 20 °C
Vapor Pressure	0.27 [mmHg]
LogP	0.8
LogP	0.83
LogP	0.72

Physical description & handling notes

• Solid; [Merck Index]
• Solid
• White crystalline solid; Fresh caramelic nutty, mild tobacco aroma
• Soluble
• Soluble in fat; Slightly 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 Heat No safety concern at current levels of intake when used as a flavouring agent
GHS notification summary	0.8% (13 / 1623)

GHS Hazard Classification

GHS notification summary	0.8% (13 / 1623)
Reported hazard statements	H315 (98.6%), H319 (99.1%)

Documented Uses

• Used as a rubefacient; [Merck Index] Topical vasodilator used to test the efficacy of skin protection compounds (i.e. products designed to provide barriers to chemical warfare agents); [DOD] Used as a flavoring agent; [FDA]
• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Flavoring Agents -> JECFA Flavorings Index
• 3-Pyridinecarboxylic acid, methyl ester: ACTIVE
• Indicated for the temporary relief of aches and pains in muscles, tendons, and joints.
• Following epicutaneous administration of small radiolabelled dose of methyl nicotinate in human volunteers, approximately 15% of the dose was recovered in the urine within 108 hours after treatment. The excretion of nicotinic acid mainly takes place in the kidneys.

Synonyms

METHYL NICOTINATE; 93-60-7; methyl pyridine-3-carboxylate; Methylnicotinate; Methyl-nicotinate; Methyl 3-pyridinecarboxylate; 3-Pyridinecarboxylic acid, methyl ester; 3-(Methoxycarbonyl)pyridine; Heat spray; Nicotinic acid, methyl ester; 3-(Carbomethoxy)pyridine; FEMA No. 3709; 3-Pyridinecarboxylic acid methyl ester; DTXSID7044471; 7B1AVU9DJN; NSC-13126

Frequently Asked Questions

What are the CAS number and molecular formula of methyl nicotinate?

CAS 93-60-7; molecular formula C7H7NO2; molecular weight 137.05 g/mol.

What other names is methyl nicotinate known by?

METHYL NICOTINATE, 93-60-7, methyl pyridine-3-carboxylate, Methylnicotinate, Methyl-nicotinate, Methyl 3-pyridinecarboxylate.

What is the regulatory status of methyl nicotinate?

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

Is methyl nicotinate classified as hazardous?

0.8% of GHS notifications report no hazard classification (13 of 1623).

What are the key physical properties of methyl nicotinate?

Boiling Point: 209; Boiling Point: 209.00 °C. @ 760.00 mm Hg; Melting Point: 38-43; Melting Point: 38 °C.

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.